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

C19H14ClN3O3S — CID 67579897

IUPAC2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccco1
InChIInChI=1S/C19H14ClN3O3S/c20-14-9-7-13(8-10-14)15-12-17(18-5-3-11-26-18)23(22-15)16-4-1-2-6-19(16)27(21,24)25/h1-12H,(H2,21,24,25)
InChIKeyJABLXHGWPBWWAV-UHFFFAOYSA-N
MW399.86 g/mol
LogP4.10
Rot. Bonds4

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

2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67579897) has the molecular formula C19H14ClN3O3S and a molecular weight of 399.86 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67579897
Molecular FormulaC19H14ClN3O3S
Molecular Weight399.86 g/mol
Exact Mass399.04
IUPAC Name2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccco1
InChIInChI=1S/C19H14ClN3O3S/c20-14-9-7-13(8-10-14)15-12-17(18-5-3-11-26-18)23(22-15)16-4-1-2-6-19(16)27(21,24)25/h1-12H,(H2,21,24,25)
InChIKeyJABLXHGWPBWWAV-UHFFFAOYSA-N
XLogP4.10
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 54.10
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-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
CID 67580466
2-[3-(4-chlorophenyl)-5-(3-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580133
2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67581147
2-[3,5-bis(4-bromophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580581
2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 67580507
2-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 67580480
5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide
CID 67647700
bis(carbamothioic S-acid);5-(4-chlorophenyl)-1-(2-methylsulfonylphenyl)-3-phenylpyrazole;methane;hydrate
CID 173224241
2-(4-chloro-3,5-diphenylpyrazol-1-yl)benzenesulfonamide;2-[5-(4-chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 70230174

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide (CID 67579897) is 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccco1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is JABLXHGWPBWWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S/c20-14-9-7-13(8-10-14)15-12-17(18-5-3-11-26-18)23(22-15)16-4-1-2-6-19(16)27(21,24)25/h1-12H,(H2,21,24,25).
What are the key properties of 2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide?
2-[3-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 399.86 g/mol, XLogP of 4.10, 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-(furan-2-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67579897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).