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

C21H15BrClN3O2S — CID 67581147

IUPAC2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccccc2Br)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H15BrClN3O2S/c22-17-6-2-1-5-16(17)18-13-20(14-9-11-15(23)12-10-14)26(25-18)19-7-3-4-8-21(19)29(24,27)28/h1-13H,(H2,24,27,28)
InChIKeyFLNILYDKUYSVSF-UHFFFAOYSA-N
MW488.79 g/mol
LogP5.27
Rot. Bonds4

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

2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67581147) has the molecular formula C21H15BrClN3O2S and a molecular weight of 488.79 g/mol. Its IUPAC name is 2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67581147
Molecular FormulaC21H15BrClN3O2S
Molecular Weight488.79 g/mol
Exact Mass486.98
IUPAC Name2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccccc2Br)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H15BrClN3O2S/c22-17-6-2-1-5-16(17)18-13-20(14-9-11-15(23)12-10-14)26(25-18)19-7-3-4-8-21(19)29(24,27)28/h1-13H,(H2,24,27,28)
InChIKeyFLNILYDKUYSVSF-UHFFFAOYSA-N
XLogP5.27
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.79
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide (CID 67581147) is 2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nc(-c2ccccc2Br)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is FLNILYDKUYSVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrClN3O2S/c22-17-6-2-1-5-16(17)18-13-20(14-9-11-15(23)12-10-14)26(25-18)19-7-3-4-8-21(19)29(24,27)28/h1-13H,(H2,24,27,28).
What are the key properties of 2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 488.79 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromophenyl)-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67581147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).