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

C20H16ClN3O2S2 — CID 67580507

IUPAC2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1csc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3S(N)(=O)=O)n2)c1
InChIInChI=1S/C20H16ClN3O2S2/c1-13-10-19(27-12-13)16-11-18(14-6-8-15(21)9-7-14)24(23-16)17-4-2-3-5-20(17)28(22,25)26/h2-12H,1H3,(H2,22,25,26)
InChIKeyWPOXMOOXNMUYCR-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.88
Rot. Bonds4

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

2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67580507) has the molecular formula C20H16ClN3O2S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67580507
Molecular FormulaC20H16ClN3O2S2
Molecular Weight429.95 g/mol
Exact Mass429.04
IUPAC Name2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1csc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3S(N)(=O)=O)n2)c1
InChIInChI=1S/C20H16ClN3O2S2/c1-13-10-19(27-12-13)16-11-18(14-6-8-15(21)9-7-14)24(23-16)17-4-2-3-5-20(17)28(22,25)26/h2-12H,1H3,(H2,22,25,26)
InChIKeyWPOXMOOXNMUYCR-UHFFFAOYSA-N
XLogP4.88
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide (CID 67580507) is 2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide is Cc1csc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3S(N)(=O)=O)n2)c1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is WPOXMOOXNMUYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S2/c1-13-10-19(27-12-13)16-11-18(14-6-8-15(21)9-7-14)24(23-16)17-4-2-3-5-20(17)28(22,25)26/h2-12H,1H3,(H2,22,25,26).
What are the key properties of 2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 429.95 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67580507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).