4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide

C16H11ClN4O2S — CID 47062851

IUPAC4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)ccc1Cl
InChIInChI=1S/C16H11ClN4O2S/c17-15-5-4-14(9-12(15)10-18)24(22,23)21-13-3-1-2-11(8-13)16-6-7-19-20-16/h1-9,21H,(H,19,20)
InChIKeyCOVXWWGCFCLEIR-UHFFFAOYSA-N
MW358.81 g/mol
LogP3.40
Rot. Bonds4

About 4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide

4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 47062851) has the molecular formula C16H11ClN4O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is 4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
PubChem CID47062851
Molecular FormulaC16H11ClN4O2S
Molecular Weight358.81 g/mol
Exact Mass358.03
IUPAC Name4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)ccc1Cl
InChIInChI=1S/C16H11ClN4O2S/c17-15-5-4-14(9-12(15)10-18)24(22,23)21-13-3-1-2-11(8-13)16-6-7-19-20-16/h1-9,21H,(H,19,20)
InChIKeyCOVXWWGCFCLEIR-UHFFFAOYSA-N
XLogP3.40
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
1-N-(4-chloro-3-cyanophenyl)-3-N,3-N-dimethylbenzene-1,3-disulfonamide
CID 31782478
4-fluoro-2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 39330217
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]propane-2-sulfonamide
CID 55231822
2-chloro-N-(4-chloro-3-cyanophenyl)pyrimidine-5-sulfonamide
CID 61053173
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 75521913
4-cyano-N-(3,4-dichlorophenyl)-3-methylbenzenesulfonamide
CID 106919707
4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
CID 146600936
3,5-dichloro-N-[4-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide
CID 72547025
4-(bromomethyl)-N-(4-chloro-3-cyanophenyl)benzenesulfonamide
CID 65480606

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide (CID 47062851) is 4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2cccc(-c3ccn[nH]3)c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is COVXWWGCFCLEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S/c17-15-5-4-14(9-12(15)10-18)24(22,23)21-13-3-1-2-11(8-13)16-6-7-19-20-16/h1-9,21H,(H,19,20).
What are the key properties of 4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide?
4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 358.81 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyano-N-[3-(1H-pyrazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 47062851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).