4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide

C16H13BrClN3O2S — CID 23209697

IUPAC4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1Br
InChIInChI=1S/C16H13BrClN3O2S/c1-10-15(17)16(11-2-4-12(18)5-3-11)21(20-10)13-6-8-14(9-7-13)24(19,22)23/h2-9H,1H3,(H2,19,22,23)
InChIKeyYXRKHZJYEOSGDY-UHFFFAOYSA-N
MW426.72 g/mol
LogP3.91
Rot. Bonds3

About 4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide

4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide (PubChem CID 23209697) has the molecular formula C16H13BrClN3O2S and a molecular weight of 426.72 g/mol. Its IUPAC name is 4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide
PubChem CID23209697
Molecular FormulaC16H13BrClN3O2S
Molecular Weight426.72 g/mol
Exact Mass424.96
IUPAC Name4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide
SMILESCc1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1Br
InChIInChI=1S/C16H13BrClN3O2S/c1-10-15(17)16(11-2-4-12(18)5-3-11)21(20-10)13-6-8-14(9-7-13)24(19,22)23/h2-9H,1H3,(H2,19,22,23)
InChIKeyYXRKHZJYEOSGDY-UHFFFAOYSA-N
XLogP3.91
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.72
LogP ≤ 53.91
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)-3-methylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide (CID 23209697) is 4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide is Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(Cl)cc2)c1Br.
What is the InChIKey of 4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is YXRKHZJYEOSGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O2S/c1-10-15(17)16(11-2-4-12(18)5-3-11)21(20-10)13-6-8-14(9-7-13)24(19,22)23/h2-9H,1H3,(H2,19,22,23).
What are the key properties of 4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide?
4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 426.72 g/mol, XLogP of 3.91, 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)-3-methylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23209697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).