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14067-77-7 molecular structure
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(Z)-N'-(benzenesulfonyl)benzene-1-carboximidamide

ChemBase ID: 113365
Molecular Formular: C13H12N2O2S
Molecular Mass: 260.31158
Monoisotopic Mass: 260.06194863
SMILES and InChIs

SMILES:
S(=O)(=O)(/N=C(/c1ccccc1)\N)c1ccccc1
Canonical SMILES:
N/C(=N\S(=O)(=O)c1ccccc1)/c1ccccc1
InChI:
InChI=1S/C13H12N2O2S/c14-13(11-7-3-1-4-8-11)15-18(16,17)12-9-5-2-6-10-12/h1-10H,(H2,14,15)
InChIKey:
LPXRFQYPABSWTF-UHFFFAOYSA-N

Cite this record

CBID:113365 http://www.chembase.cn/molecule-113365.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(Z)-N'-(benzenesulfonyl)benzene-1-carboximidamide
IUPAC Traditional name
(Z)-N'-(benzenesulfonyl)benzene-1-carboximidamide
Synonyms
N-[1-Amino-1-phenyl-meth-(Z)-ylidene]-benzenesulfonamide
CAS Number
14067-77-7
MDL Number
MFCD00680264
PubChem SID
162097980
PubChem CID
9586587

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F0898-0214 external link Add to cart Please log in.
Data Source Data ID
PubChem 9586587 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0394397  LogD (pH = 7.4) 2.03978 
Log P 2.0397842  Molar Refractivity 70.4315 cm3
Polarizability 27.741613 Å3 Polar Surface Area 72.52 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
2.978 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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