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

C20H16ClN3O2S2 — CID 67580508

IUPACN-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1csc(-c2cc(-c3ccc(Cl)cc3)n(NS(=O)(=O)c3ccccc3)n2)c1
InChIInChI=1S/C20H16ClN3O2S2/c1-14-11-20(27-13-14)18-12-19(15-7-9-16(21)10-8-15)24(22-18)23-28(25,26)17-5-3-2-4-6-17/h2-13,23H,1H3
InChIKeySBUZXABJUVKKEF-UHFFFAOYSA-N
MW429.95 g/mol
LogP5.17
Rot. Bonds5

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

N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67580508) has the molecular formula C20H16ClN3O2S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67580508
Molecular FormulaC20H16ClN3O2S2
Molecular Weight429.95 g/mol
Exact Mass429.04
IUPAC NameN-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1csc(-c2cc(-c3ccc(Cl)cc3)n(NS(=O)(=O)c3ccccc3)n2)c1
InChIInChI=1S/C20H16ClN3O2S2/c1-14-11-20(27-13-14)18-12-19(15-7-9-16(21)10-8-15)24(22-18)23-28(25,26)17-5-3-2-4-6-17/h2-13,23H,1H3
InChIKeySBUZXABJUVKKEF-UHFFFAOYSA-N
XLogP5.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide (CID 67580508) is N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide is Cc1csc(-c2cc(-c3ccc(Cl)cc3)n(NS(=O)(=O)c3ccccc3)n2)c1.
What is the InChIKey of N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is SBUZXABJUVKKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S2/c1-14-11-20(27-13-14)18-12-19(15-7-9-16(21)10-8-15)24(22-18)23-28(25,26)17-5-3-2-4-6-17/h2-13,23H,1H3.
What are the key properties of N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide?
N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 429.95 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-3-(4-methylthiophen-2-yl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67580508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).