N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide

C15H11BrClN3O2S — CID 163248350

IUPACN-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nn(-c2cccc(Cl)c2)cc1Br)c1ccccc1
InChIInChI=1S/C15H11BrClN3O2S/c16-14-10-20(12-6-4-5-11(17)9-12)18-15(14)19-23(21,22)13-7-2-1-3-8-13/h1-10H,(H,18,19)
InChIKeyOLSVHRUNOYXGGW-UHFFFAOYSA-N
MW412.70 g/mol
LogP4.09
Rot. Bonds4

About N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide

N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 163248350) has the molecular formula C15H11BrClN3O2S and a molecular weight of 412.70 g/mol. Its IUPAC name is N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID163248350
Molecular FormulaC15H11BrClN3O2S
Molecular Weight412.70 g/mol
Exact Mass410.94
IUPAC NameN-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nn(-c2cccc(Cl)c2)cc1Br)c1ccccc1
InChIInChI=1S/C15H11BrClN3O2S/c16-14-10-20(12-6-4-5-11(17)9-12)18-15(14)19-23(21,22)13-7-2-1-3-8-13/h1-10H,(H,18,19)
InChIKeyOLSVHRUNOYXGGW-UHFFFAOYSA-N
XLogP4.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.70
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)-4-(2-methylprop-1-enyl)pyrazol-3-yl]benzenesulfonamide
CID 163248322
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201811
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206103
3-chloro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7693123
N-[3-(3-chloroanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2309498
N-(benzenesulfonyl)-1-(3-chlorophenyl)imidazole-4-carboxamide
CID 139453099
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22201837
3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 78889859
N-[1-(3-chlorophenyl)-4-methylpyrazol-3-yl]formamide
CID 57154308
3-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 62686573
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3,4-difluorobenzenesulfonamide
CID 22201835
N-[4-(3-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 67647047

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide (CID 163248350) is N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1nn(-c2cccc(Cl)c2)cc1Br)c1ccccc1.
What is the InChIKey of N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is OLSVHRUNOYXGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O2S/c16-14-10-20(12-6-4-5-11(17)9-12)18-15(14)19-23(21,22)13-7-2-1-3-8-13/h1-10H,(H,18,19).
What are the key properties of N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide?
N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 412.70 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-(3-chlorophenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 163248350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).