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

C22H19N3O2S — CID 22203873

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N3O2S/c26-28(27,21-14-8-3-9-15-21)23-16-19-17-25(20-12-6-2-7-13-20)24-22(19)18-10-4-1-5-11-18/h1-15,17,23H,16H2
InChIKeyAXKYBXQKQCPPTN-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.02
Rot. Bonds6

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

N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 22203873) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID22203873
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N3O2S/c26-28(27,21-14-8-3-9-15-21)23-16-19-17-25(20-12-6-2-7-13-20)24-22(19)18-10-4-1-5-11-18/h1-15,17,23H,16H2
InChIKeyAXKYBXQKQCPPTN-UHFFFAOYSA-N
XLogP4.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17374702
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19577912
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-nitrobenzenesulfonamide
CID 22203897
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
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 24548793
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide
CID 24548796
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 16588340
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 31536512
N-butyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42349141

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide (CID 22203873) is N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is AXKYBXQKQCPPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-28(27,21-14-8-3-9-15-21)23-16-19-17-25(20-12-6-2-7-13-20)24-22(19)18-10-4-1-5-11-18/h1-15,17,23H,16H2.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 389.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 22203873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).