5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide

C17H18ClN3O2S2 — CID 121169942

IUPAC5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2cccs2)cc1C
InChIInChI=1S/C17H18ClN3O2S2/c1-12-5-6-14(18)11-17(12)25(22,23)19-7-8-21-13(2)10-15(20-21)16-4-3-9-24-16/h3-6,9-11,19H,7-8H2,1-2H3
InChIKeyPMVPQNRIDDKTLK-UHFFFAOYSA-N
MW395.94 g/mol
LogP3.86
Rot. Bonds6

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

5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 121169942) has the molecular formula C17H18ClN3O2S2 and a molecular weight of 395.94 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID121169942
Molecular FormulaC17H18ClN3O2S2
Molecular Weight395.94 g/mol
Exact Mass395.05
IUPAC Name5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2cccs2)cc1C
InChIInChI=1S/C17H18ClN3O2S2/c1-12-5-6-14(18)11-17(12)25(22,23)19-7-8-21-13(2)10-15(20-21)16-4-3-9-24-16/h3-6,9-11,19H,7-8H2,1-2H3
InChIKeyPMVPQNRIDDKTLK-UHFFFAOYSA-N
XLogP3.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169927
4-acetyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169943
3-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905803
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 72718644
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
2,4-difluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905802
3,4-dichloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16905781
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 72718645
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-methylimidazole-4-sulfonamide
CID 72718654
5-chloro-2-methyl-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 90563949
4-chloro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]benzenesulfonamide
CID 67174142

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 121169942) is 5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2cccs2)cc1C.
What is the InChIKey of 5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is PMVPQNRIDDKTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S2/c1-12-5-6-14(18)11-17(12)25(22,23)19-7-8-21-13(2)10-15(20-21)16-4-3-9-24-16/h3-6,9-11,19H,7-8H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 395.94 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 121169942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).