3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide

C15H17ClN2O2S — CID 11702579

IUPAC3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide
SMILESCCCc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C15H17ClN2O2S/c1-3-6-12-7-4-10-15(17-12)18-21(19,20)14-9-5-8-13(16)11(14)2/h4-5,7-10H,3,6H2,1-2H3,(H,17,18)
InChIKeyMIVJHNDAIFZPRU-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.80
Rot. Bonds5

About 3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide

3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide (PubChem CID 11702579) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide
PubChem CID11702579
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide
SMILESCCCc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C15H17ClN2O2S/c1-3-6-12-7-4-10-15(17-12)18-21(19,20)14-9-5-8-13(16)11(14)2/h4-5,7-10H,3,6H2,1-2H3,(H,17,18)
InChIKeyMIVJHNDAIFZPRU-UHFFFAOYSA-N
XLogP3.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(6-ethylsulfanyl-2-pyridinyl)-2-methylbenzenesulfonamide
CID 11631523
2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
CID 3868272
3-chloro-2-methyl-N-[5-(2-quinolin-2-ylethyl)-2-pyridinyl]benzenesulfonamide
CID 68845404
3-chloro-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-methylbenzenesulfonamide
CID 122324374
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
N-[4-(2-bromoethyl)-1,3-thiazol-2-yl]-3-chloro-2-methylbenzenesulfonamide
CID 11292384
N-(6-ethyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 25042631
3-chloro-2-methyl-N-[4-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 87546782
3-chloro-N-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546416
2,3-dichloro-N-(6-chloro-2-pyridinyl)benzenesulfonamide
CID 113456961
3-chloro-2-methyl-N-[4-(2-oxopentyl)thiophen-3-yl]benzenesulfonamide
CID 10287096
methyl 2-[(6-ethyl-2-pyridinyl)sulfamoyl]benzoate
CID 3376237

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide (CID 11702579) is 3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide is CCCc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1.
What is the InChIKey of 3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is MIVJHNDAIFZPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-3-6-12-7-4-10-15(17-12)18-21(19,20)14-9-5-8-13(16)11(14)2/h4-5,7-10H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide?
3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 11702579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).