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104246-27-7 molecular structure
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2-chloro-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide

ChemBase ID: 249694
Molecular Formular: C11H10ClN3O3S2
Molecular Mass: 331.7984
Monoisotopic Mass: 330.98521088
SMILES and InChIs

SMILES:
S(=O)(=O)(Nc1nccs1)c1ccc(NC(=O)CCl)cc1
Canonical SMILES:
ClCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
InChI:
InChI=1S/C11H10ClN3O3S2/c12-7-10(16)14-8-1-3-9(4-2-8)20(17,18)15-11-13-5-6-19-11/h1-6H,7H2,(H,13,15)(H,14,16)
InChIKey:
NSUHLTKMBRDPDN-UHFFFAOYSA-N

Cite this record

CBID:249694 http://www.chembase.cn/molecule-249694.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
IUPAC Traditional name
2-chloro-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
Synonyms
2-chloro-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}acetamide
CAS Number
104246-27-7
MDL Number
MFCD00249625
PubChem SID
164305604
PubChem CID
721139

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-13714 external link Add to cart Please log in.
Data Source Data ID
PubChem 721139 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.7680492  H Acceptors
H Donor LogD (pH = 5.5) 1.558848 
LogD (pH = 7.4) 1.0287569  Log P 1.5790081 
Molar Refractivity 77.1881 cm3 Polarizability 29.87151 Å3
Polar Surface Area 88.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
16 - 18°C expand Show data source
Hydrophobicity(logP)
1.557 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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