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96134-80-4 molecular structure
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N,N-diethyl-3-(hydrazinecarbonyl)benzene-1-sulfonamide

ChemBase ID: 230448
Molecular Formular: C11H17N3O3S
Molecular Mass: 271.33598
Monoisotopic Mass: 271.09906242
SMILES and InChIs

SMILES:
S(=O)(=O)(c1cc(C(=O)NN)ccc1)N(CC)CC
Canonical SMILES:
CCN(S(=O)(=O)c1cccc(c1)C(=O)NN)CC
InChI:
InChI=1S/C11H17N3O3S/c1-3-14(4-2)18(16,17)10-7-5-6-9(8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)
InChIKey:
JVJRCNQOLBMRQX-UHFFFAOYSA-N

Cite this record

CBID:230448 http://www.chembase.cn/molecule-230448.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethyl-3-(hydrazinecarbonyl)benzene-1-sulfonamide
IUPAC Traditional name
N,N-diethyl-3-(hydrazinecarbonyl)benzenesulfonamide
Synonyms
N,N-Diethyl-3-hydrazinocarbonyl-benzenesulfonamide
CAS Number
96134-80-4
MDL Number
MFCD01197380
PubChem SID
164286358
PubChem CID
690602

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-03575 external link Add to cart Please log in.
Data Source Data ID
PubChem 690602 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.441872  H Acceptors
H Donor LogD (pH = 5.5) 0.29362607 
LogD (pH = 7.4) 0.29439902  Log P 0.29440922 
Molar Refractivity 71.069 cm3 Polarizability 27.272997 Å3
Polar Surface Area 92.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
133 - 135°C expand Show data source
Hydrophobicity(logP)
0.778 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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