4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide

C15H11BrClN3O2S — CID 10669397

IUPAC4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc(Br)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H11BrClN3O2S/c16-14-9-19-20(15(14)10-1-3-11(17)4-2-10)12-5-7-13(8-6-12)23(18,21)22/h1-9H,(H2,18,21,22)
InChIKeyYVAOFGAOVRXLLB-UHFFFAOYSA-N
MW412.70 g/mol
LogP3.60
Rot. Bonds3

About 4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide

4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10669397) has the molecular formula C15H11BrClN3O2S and a molecular weight of 412.70 g/mol. Its IUPAC name is 4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10669397
Molecular FormulaC15H11BrClN3O2S
Molecular Weight412.70 g/mol
Exact Mass410.94
IUPAC Name4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc(Br)c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H11BrClN3O2S/c16-14-9-19-20(15(14)10-1-3-11(17)4-2-10)12-5-7-13(8-6-12)23(18,21)22/h1-9H,(H2,18,21,22)
InChIKeyYVAOFGAOVRXLLB-UHFFFAOYSA-N
XLogP3.60
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.70
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide (CID 10669397) is 4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2ncc(Br)c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is YVAOFGAOVRXLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O2S/c16-14-9-19-20(15(14)10-1-3-11(17)4-2-10)12-5-7-13(8-6-12)23(18,21)22/h1-9H,(H2,18,21,22).
What are the key properties of 4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 412.70 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-5-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10669397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).