2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide

C20H15ClN4O2S — CID 67580466

IUPAC2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1cccnc1
InChIInChI=1S/C20H15ClN4O2S/c21-16-9-7-14(8-10-16)17-12-19(15-4-3-11-23-13-15)25(24-17)18-5-1-2-6-20(18)28(22,26)27/h1-13H,(H2,22,26,27)
InChIKeyIEPRFECKGKDWBD-UHFFFAOYSA-N
MW410.89 g/mol
LogP3.90
Rot. Bonds4

About 2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide

2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide (PubChem CID 67580466) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
PubChem CID67580466
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC Name2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1cccnc1
InChIInChI=1S/C20H15ClN4O2S/c21-16-9-7-14(8-10-16)17-12-19(15-4-3-11-23-13-15)25(24-17)18-5-1-2-6-20(18)28(22,26)27/h1-13H,(H2,22,26,27)
InChIKeyIEPRFECKGKDWBD-UHFFFAOYSA-N
XLogP3.90
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580377
2-[5-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581249
2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580684
2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67579897
2-[3,5-bis(4-bromophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580581
2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581147
2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580133
2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580507
bis(carbamothioic S-acid);5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)-3-phenylpyrazole;methane;hydrate
CID 173224241
5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide
CID 67647700
2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580480
methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;3-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)pyridine;4-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;4-(3-pyridin-4-ylpyrazol-1-yl)benzenesulfonamide
CID 158613874

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide (CID 67580466) is 2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1cccnc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is IEPRFECKGKDWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c21-16-9-7-14(8-10-16)17-12-19(15-4-3-11-23-13-15)25(24-17)18-5-1-2-6-20(18)28(22,26)27/h1-13H,(H2,22,26,27).
What are the key properties of 2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide?
2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 410.89 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67580466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).