N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C15H14ClN3O2S2 — CID 42349940

IUPACN-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cn(C)nc1-c1cccs1
InChIInChI=1S/C15H14ClN3O2S2/c1-10-11(16)5-3-6-12(10)18-23(20,21)14-9-19(2)17-15(14)13-7-4-8-22-13/h3-9,18H,1-2H3
InChIKeyZYOCDSBYLNUOPG-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.91
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42349940) has the molecular formula C15H14ClN3O2S2 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42349940
Molecular FormulaC15H14ClN3O2S2
Molecular Weight367.88 g/mol
Exact Mass367.02
IUPAC NameN-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1cn(C)nc1-c1cccs1
InChIInChI=1S/C15H14ClN3O2S2/c1-10-11(16)5-3-6-12(10)18-23(20,21)14-9-19(2)17-15(14)13-7-4-8-22-13/h3-9,18H,1-2H3
InChIKeyZYOCDSBYLNUOPG-UHFFFAOYSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285175
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349956
N-(5-chloro-2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349963
N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349702
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285227
N-(3-acetylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285193
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285211
N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285209
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762
1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349704
N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349778

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42349940) is N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1cn(C)nc1-c1cccs1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is ZYOCDSBYLNUOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S2/c1-10-11(16)5-3-6-12(10)18-23(20,21)14-9-19(2)17-15(14)13-7-4-8-22-13/h3-9,18H,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 367.88 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).