2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide

C16H14ClN3O4S2 — CID 55895336

IUPAC2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2-n2cccn2)c1
InChIInChI=1S/C16H14ClN3O4S2/c1-25(21,22)12-7-8-13(17)16(11-12)26(23,24)19-14-5-2-3-6-15(14)20-10-4-9-18-20/h2-11,19H,1H3
InChIKeyZYANGPRMTSWOGN-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.73
Rot. Bonds5

About 2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide

2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide (PubChem CID 55895336) has the molecular formula C16H14ClN3O4S2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
PubChem CID55895336
Molecular FormulaC16H14ClN3O4S2
Molecular Weight411.89 g/mol
Exact Mass411.01
IUPAC Name2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2-n2cccn2)c1
InChIInChI=1S/C16H14ClN3O4S2/c1-25(21,22)12-7-8-13(17)16(11-12)26(23,24)19-14-5-2-3-6-15(14)20-10-4-9-18-20/h2-11,19H,1H3
InChIKeyZYANGPRMTSWOGN-UHFFFAOYSA-N
XLogP2.73
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-chloro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532143
2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 60586094
N-(2-pyrazol-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55895716
2,6-difluoro-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 60532169
N-(2-pyrazol-1-ylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 47062887
2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133270594
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzenesulfonamide
CID 35367970
N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705684
4-chloro-N-[2-(2-methylphenyl)pyrazol-3-yl]-3-methylsulfonylbenzenesulfonamide
CID 122143423
3-cyclopropyl-N-(2-pyrazol-1-ylphenyl)thiophene-2-sulfonamide
CID 166369498
3-chloro-2-fluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60531782
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 87007049

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide (CID 55895336) is 2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide is CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2-n2cccn2)c1.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is ZYANGPRMTSWOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S2/c1-25(21,22)12-7-8-13(17)16(11-12)26(23,24)19-14-5-2-3-6-15(14)20-10-4-9-18-20/h2-11,19H,1H3.
What are the key properties of 2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide?
2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 411.89 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 55895336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).