3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide

C14H15ClN2O2S2 — CID 11631523

IUPAC3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide
SMILESCCSc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C14H15ClN2O2S2/c1-3-20-14-9-5-8-13(16-14)17-21(18,19)12-7-4-6-11(15)10(12)2/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyUMWBKBWWGJCZCX-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.96
Rot. Bonds5

About 3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide

3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 11631523) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID11631523
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC Name3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide
SMILESCCSc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C14H15ClN2O2S2/c1-3-20-14-9-5-8-13(16-14)17-21(18,19)12-7-4-6-11(15)10(12)2/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyUMWBKBWWGJCZCX-UHFFFAOYSA-N
XLogP3.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide
CID 11702579
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
2,3-dichloro-N-(6-chloro-2-pyridinyl)benzenesulfonamide
CID 113456961
3-chloro-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-methylbenzenesulfonamide
CID 122324374
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
CID 3868272
3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide
CID 10287096
3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540546
3-chloro-2-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 68842273

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide (CID 11631523) is 3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide is CCSc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1.
What is the InChIKey of 3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is UMWBKBWWGJCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c1-3-20-14-9-5-8-13(16-14)17-21(18,19)12-7-4-6-11(15)10(12)2/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide?
3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide has a molecular weight of 342.87 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 11631523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).