2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide

C16H14ClN3O4S2 — CID 67663311

IUPAC2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1cnn(-c2ccccc2S(N)(=O)=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O4S2/c1-25(21,22)15-10-19-20(16(15)11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)26(18,23)24/h2-10H,1H3,(H2,18,23,24)
InChIKeyDUNIWIBKADUOPL-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.24
Rot. Bonds4

About 2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide

2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide (PubChem CID 67663311) has the molecular formula C16H14ClN3O4S2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide
PubChem CID67663311
Molecular FormulaC16H14ClN3O4S2
Molecular Weight411.89 g/mol
Exact Mass411.01
IUPAC Name2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1cnn(-c2ccccc2S(N)(=O)=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O4S2/c1-25(21,22)15-10-19-20(16(15)11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)26(18,23)24/h2-10H,1H3,(H2,18,23,24)
InChIKeyDUNIWIBKADUOPL-UHFFFAOYSA-N
XLogP2.24
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl phenyl sulfone
CID 1483408
4-(4-Chloro-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 9880758
4-[4-Bromo-5-(4-chloro-phenyl)-pyrazol-1-yl]-benzenesulfonamide
CID 10669397
4-[5-(4-Chloro-phenyl)-4-methyl-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10764356
4-[5-(4-Chloro-phenyl)-4-ethyl-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10765040
4-(4-Chlorophenyl)sulfanyl-1-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole
CID 44595244
N-[(2-Chlorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914765
N-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914766
5-(4-Chlorophenyl)-1-(4-methanesulfonylphenyl)-1H-[1,2,3]triazole
CID 21859785
4-(4-Chlorophenyl)-1-(4-methanesulfonylphenyl)-1H-[1,2,3]triazole
CID 44581930
4-(7-chloro-4H-thiochromeno[3,4-d]pyrazol-1-yl)benzenesulfonamide
CID 71457274
4-(7-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)benzenesulfonamide
CID 127036947

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide (CID 67663311) is 2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide is CS(=O)(=O)c1cnn(-c2ccccc2S(N)(=O)=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is DUNIWIBKADUOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S2/c1-25(21,22)15-10-19-20(16(15)11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)26(18,23)24/h2-10H,1H3,(H2,18,23,24).
What are the key properties of 2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide?
2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 411.89 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67663311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).