N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide

C15H17ClN2O2S — CID 102976182

IUPACN-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1cnc(Cl)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10(2)12-4-6-13(7-5-12)21(19,20)18-14-8-11(3)9-17-15(14)16/h4-10,18H,1-3H3
InChIKeyLEXXZFNPESQNRO-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.97
Rot. Bonds4

About N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide

N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 102976182) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID102976182
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1cnc(Cl)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10(2)12-4-6-13(7-5-12)21(19,20)18-14-8-11(3)9-17-15(14)16/h4-10,18H,1-3H3
InChIKeyLEXXZFNPESQNRO-UHFFFAOYSA-N
XLogP3.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
CID 102976125
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 102976117
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 102976123
N-(6-chloropyrimidin-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 86003781
N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 3376238
N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 102976090
N-(5-chloro-2-methylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 67972113
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
propan-2-yl N-[(2-chloro-5-methyl-3-pyridinyl)sulfamoyl]carbamate
CID 114050687
N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 2728432

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide (CID 102976182) is N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide is Cc1cnc(Cl)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is LEXXZFNPESQNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10(2)12-4-6-13(7-5-12)21(19,20)18-14-8-11(3)9-17-15(14)16/h4-10,18H,1-3H3.
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide?
N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 102976182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).