2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide

C13H19ClN2O2S — CID 61046113

IUPAC2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-10-6-3-4-7-11(10)16(2)19(17,18)12-8-5-9-15-13(12)14/h5,8-11H,3-4,6-7H2,1-2H3
InChIKeyGFLOLVPCMAZFJE-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.93
Rot. Bonds3

About 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide

2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide (PubChem CID 61046113) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
PubChem CID61046113
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-10-6-3-4-7-11(10)16(2)19(17,18)12-8-5-9-15-13(12)14/h5,8-11H,3-4,6-7H2,1-2H3
InChIKeyGFLOLVPCMAZFJE-UHFFFAOYSA-N
XLogP2.93
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82734442
N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 62158876
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide
CID 61046115
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide
CID 61215503
2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
CID 60828632
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 61047048
2-chloro-N-cyclobutylpyridine-3-sulfonamide
CID 62414188
2-amino-N-methyl-N-(2-methylcyclohexyl)pyrimidine-5-sulfonamide
CID 62159050
4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165024
2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
CID 43656189
2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635648

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide (CID 61046113) is 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide is CC1CCCCC1N(C)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide?
The InChIKey is GFLOLVPCMAZFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-10-6-3-4-7-11(10)16(2)19(17,18)12-8-5-9-15-13(12)14/h5,8-11H,3-4,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide?
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61046113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).