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

C20H16ClN3O2S2 — CID 70280423

IUPAC4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1sccc1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H16ClN3O2S2/c1-13-18(10-11-27-13)20-12-19(14-2-4-15(21)5-3-14)23-24(20)16-6-8-17(9-7-16)28(22,25)26/h2-12H,1H3,(H2,22,25,26)
InChIKeyGOBJQDVDLBEWBO-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.88
Rot. Bonds4

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

4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 70280423) has the molecular formula C20H16ClN3O2S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID70280423
Molecular FormulaC20H16ClN3O2S2
Molecular Weight429.95 g/mol
Exact Mass429.04
IUPAC Name4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1sccc1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H16ClN3O2S2/c1-13-18(10-11-27-13)20-12-19(14-2-4-15(21)5-3-14)23-24(20)16-6-8-17(9-7-16)28(22,25)26/h2-12H,1H3,(H2,22,25,26)
InChIKeyGOBJQDVDLBEWBO-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 4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide (CID 70280423) is 4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide is Cc1sccc1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is GOBJQDVDLBEWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S2/c1-13-18(10-11-27-13)20-12-19(14-2-4-15(21)5-3-14)23-24(20)16-6-8-17(9-7-16)28(22,25)26/h2-12H,1H3,(H2,22,25,26).
What are the key properties of 4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-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 4-[3-(4-chlorophenyl)-5-(2-methylthiophen-3-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 70280423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).