5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide

C17H15ClN2O2S2 — CID 53148365

IUPAC5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCc1cccc(-c2ncccc2CNS(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C17H15ClN2O2S2/c1-12-4-2-5-13(10-12)17-14(6-3-9-19-17)11-20-24(21,22)16-8-7-15(18)23-16/h2-10,20H,11H2,1H3
InChIKeyJGRMWCDYTJBUEG-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.25
Rot. Bonds5

About 5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide

5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide (PubChem CID 53148365) has the molecular formula C17H15ClN2O2S2 and a molecular weight of 378.91 g/mol. Its IUPAC name is 5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
PubChem CID53148365
Molecular FormulaC17H15ClN2O2S2
Molecular Weight378.91 g/mol
Exact Mass378.03
IUPAC Name5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCc1cccc(-c2ncccc2CNS(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C17H15ClN2O2S2/c1-12-4-2-5-13(10-12)17-14(6-3-9-19-17)11-20-24(21,22)16-8-7-15(18)23-16/h2-10,20H,11H2,1H3
InChIKeyJGRMWCDYTJBUEG-UHFFFAOYSA-N
XLogP4.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148360
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
3-methyl-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148201
5-bromo-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
CID 122275603
5-chloro-2-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121177917
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148402
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 53022466
5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
CID 110446126
5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 64529732
5-chloro-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]thiophene-2-sulfonamide
CID 113082213
2-fluoro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148188

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide (CID 53148365) is 5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide is Cc1cccc(-c2ncccc2CNS(=O)(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide?
The InChIKey is JGRMWCDYTJBUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S2/c1-12-4-2-5-13(10-12)17-14(6-3-9-19-17)11-20-24(21,22)16-8-7-15(18)23-16/h2-10,20H,11H2,1H3.
What are the key properties of 5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide?
5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide has a molecular weight of 378.91 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53148365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).