2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide

C16H11ClN4O2S — CID 67662445

IUPAC2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide
SMILESN#Cc1nn(-c2ccccc2S(N)(=O)=O)c(-c2ccccc2)c1Cl
InChIInChI=1S/C16H11ClN4O2S/c17-15-12(10-18)20-21(16(15)11-6-2-1-3-7-11)13-8-4-5-9-14(13)24(19,22)23/h1-9H,(H2,19,22,23)
InChIKeyBXZXKEDBVFIRAE-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.71
Rot. Bonds3

About 2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide

2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide (PubChem CID 67662445) has the molecular formula C16H11ClN4O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is 2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide
PubChem CID67662445
Molecular FormulaC16H11ClN4O2S
Molecular Weight358.81 g/mol
Exact Mass358.03
IUPAC Name2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide
SMILESN#Cc1nn(-c2ccccc2S(N)(=O)=O)c(-c2ccccc2)c1Cl
InChIInChI=1S/C16H11ClN4O2S/c17-15-12(10-18)20-21(16(15)11-6-2-1-3-7-11)13-8-4-5-9-14(13)24(19,22)23/h1-9H,(H2,19,22,23)
InChIKeyBXZXKEDBVFIRAE-UHFFFAOYSA-N
XLogP2.71
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580480
2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 70230174
4-chloro-1,5-bis(2-chlorophenyl)pyrazole-3-carbonitrile
CID 139674026
N'-[2-(4-bromo-3-cyano-5-phenylpyrazol-1-yl)phenyl]sulfonyl-N,N-dimethylmethanimidamide
CID 142636934
2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662557
2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide
CID 67663311
2-(3-amino-1,2,4-triazol-1-yl)benzenesulfonamide
CID 61176788
2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580377
2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
CID 67580466
2-[5-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581249
2-[5-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662430
2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581147

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of 2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide (CID 67662445) is 2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide is N#Cc1nn(-c2ccccc2S(N)(=O)=O)c(-c2ccccc2)c1Cl.
What is the InChIKey of 2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is BXZXKEDBVFIRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S/c17-15-12(10-18)20-21(16(15)11-6-2-1-3-7-11)13-8-4-5-9-14(13)24(19,22)23/h1-9H,(H2,19,22,23).
What are the key properties of 2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide?
2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 358.81 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-cyano-5-phenylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 67662445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).