4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide

C20H16ClN3O2S2 — CID 67174142

IUPAC4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
SMILESCc1ccccc1-n1nc(-c2cccs2)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O2S2/c1-14-5-2-3-6-18(14)24-20(13-17(22-24)19-7-4-12-27-19)23-28(25,26)16-10-8-15(21)9-11-16/h2-13,23H,1H3
InChIKeyZYAIPZQMWKOLSK-UHFFFAOYSA-N
MW429.95 g/mol
LogP5.36
Rot. Bonds5

About 4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide

4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide (PubChem CID 67174142) has the molecular formula C20H16ClN3O2S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
PubChem CID67174142
Molecular FormulaC20H16ClN3O2S2
Molecular Weight429.95 g/mol
Exact Mass429.04
IUPAC Name4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
SMILESCc1ccccc1-n1nc(-c2cccs2)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN3O2S2/c1-14-5-2-3-6-18(14)24-20(13-17(22-24)19-7-4-12-27-19)23-28(25,26)16-10-8-15(21)9-11-16/h2-13,23H,1H3
InChIKeyZYAIPZQMWKOLSK-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl]acetamide
CID 67173926
[4-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]sulfamoyl]phenyl] acetate
CID 67173775
4-methyl-N-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 4995607
4-butyl-N-[1-(4-butylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67173912
4-butyl-N-[1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67173092
5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169942
4-butyl-N-(1-cyclohexyl-3-thiophen-2-ylpyrazol-5-yl)benzenesulfonamide
CID 67174375
5-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]-1-(2-methylphenyl)pyrazole
CID 11731192
4-chloro-N-[2-(2-methylphenyl)pyrazol-3-yl]-3-methylsulfonylbenzenesulfonamide
CID 122143423
5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
CID 57160963
4-acetyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169943
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7414159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide (CID 67174142) is 4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide is Cc1ccccc1-n1nc(-c2cccs2)cc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
The InChIKey is ZYAIPZQMWKOLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2S2/c1-14-5-2-3-6-18(14)24-20(13-17(22-24)19-7-4-12-27-19)23-28(25,26)16-10-8-15(21)9-11-16/h2-13,23H,1H3.
What are the key properties of 4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide?
4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide has a molecular weight of 429.95 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67174142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).