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

C16H14ClN3O4S2 — CID 10621593

IUPAC4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1cnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O4S2/c1-25(21,22)15-10-19-20(16(15)11-2-4-12(17)5-3-11)13-6-8-14(9-7-13)26(18,23)24/h2-10H,1H3,(H2,18,23,24)
InChIKeySGVCPVBBMCJFLT-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.24
Rot. Bonds4

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

4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide (PubChem CID 10621593) has the molecular formula C16H14ClN3O4S2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide
PubChem CID10621593
Molecular FormulaC16H14ClN3O4S2
Molecular Weight411.89 g/mol
Exact Mass411.01
IUPAC Name4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1cnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O4S2/c1-25(21,22)15-10-19-20(16(15)11-2-4-12(17)5-3-11)13-6-8-14(9-7-13)26(18,23)24/h2-10H,1H3,(H2,18,23,24)
InChIKeySGVCPVBBMCJFLT-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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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide (CID 10621593) is 4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide is CS(=O)(=O)c1cnn(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is SGVCPVBBMCJFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S2/c1-25(21,22)15-10-19-20(16(15)11-2-4-12(17)5-3-11)13-6-8-14(9-7-13)26(18,23)24/h2-10H,1H3,(H2,18,23,24).
What are the key properties of 4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide?
4-[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 4-[5-(4-chlorophenyl)-4-methylsulfonylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10621593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).