4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide

C16H14ClN3O3S — CID 67760171

IUPAC4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClN3O3S/c17-15-4-2-1-3-14(15)16-9-11(10-21)19-20(16)12-5-7-13(8-6-12)24(18,22)23/h1-9,21H,10H2,(H2,18,22,23)
InChIKeyBFAYYLKMTFQPJW-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.33
Rot. Bonds4

About 4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67760171) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67760171
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClN3O3S/c17-15-4-2-1-3-14(15)16-9-11(10-21)19-20(16)12-5-7-13(8-6-12)24(18,22)23/h1-9,21H,10H2,(H2,18,22,23)
InChIKeyBFAYYLKMTFQPJW-UHFFFAOYSA-N
XLogP2.33
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide (CID 67760171) is 4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(CO)cc2-c2ccccc2Cl)cc1.
What is the InChIKey of 4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is BFAYYLKMTFQPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c17-15-4-2-1-3-14(15)16-9-11(10-21)19-20(16)12-5-7-13(8-6-12)24(18,22)23/h1-9,21H,10H2,(H2,18,22,23).
What are the key properties of 4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67760171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).