2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

C17H17N3O4S2 — CID 55902750

IUPAC2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H17N3O4S2/c1-25(21,22)16-5-2-3-6-17(16)26(23,24)19-15-9-7-14(8-10-15)13-20-12-4-11-18-20/h2-12,19H,13H2,1H3
InChIKeyQGIOPVIHBGKCQW-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.14
Rot. Bonds6

About 2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 55902750) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
PubChem CID55902750
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC Name2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H17N3O4S2/c1-25(21,22)16-5-2-3-6-17(16)26(23,24)19-15-9-7-14(8-10-15)13-20-12-4-11-18-20/h2-12,19H,13H2,1H3
InChIKeyQGIOPVIHBGKCQW-UHFFFAOYSA-N
XLogP2.14
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 86920060
1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
1-[[4-(sulfamoylamino)phenyl]methyl]pyrazole
CID 112573677
4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 51121436
N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55534682
3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205263
N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 55814374
3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205258
2-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 60934231
methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 55603773
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 26045640
N-(4-tert-butylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 55532477

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide (CID 55902750) is 2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is QGIOPVIHBGKCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-25(21,22)16-5-2-3-6-17(16)26(23,24)19-15-9-7-14(8-10-15)13-20-12-4-11-18-20/h2-12,19H,13H2,1H3.
What are the key properties of 2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide?
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 391.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55902750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).