4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide

C22H18ClN3O2S — CID 19577912

IUPAC4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O2S/c23-19-11-13-21(14-12-19)29(27,28)24-15-18-16-26(20-9-5-2-6-10-20)25-22(18)17-7-3-1-4-8-17/h1-14,16,24H,15H2
InChIKeyKJMTZECJAADCPL-UHFFFAOYSA-N
MW423.93 g/mol
LogP4.67
Rot. Bonds6

About 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide

4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 19577912) has the molecular formula C22H18ClN3O2S and a molecular weight of 423.93 g/mol. Its IUPAC name is 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID19577912
Molecular FormulaC22H18ClN3O2S
Molecular Weight423.93 g/mol
Exact Mass423.08
IUPAC Name4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O2S/c23-19-11-13-21(14-12-19)29(27,28)24-15-18-16-26(20-9-5-2-6-10-20)25-22(18)17-7-3-1-4-8-17/h1-14,16,24H,15H2
InChIKeyKJMTZECJAADCPL-UHFFFAOYSA-N
XLogP4.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17374702
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-nitrobenzenesulfonamide
CID 22203897
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide
CID 24548796
CID 67048003
CID 67048003
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28536639
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247
4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole
CID 132942065
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 16588340
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide (CID 19577912) is 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is KJMTZECJAADCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S/c23-19-11-13-21(14-12-19)29(27,28)24-15-18-16-26(20-9-5-2-6-10-20)25-22(18)17-7-3-1-4-8-17/h1-14,16,24H,15H2.
What are the key properties of 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide?
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 423.93 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 19577912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).