2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide

C13H19ClN2O2S — CID 61046115

IUPAC2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-10-5-3-4-6-12(10)16(2)19(17,18)11-7-8-15-13(14)9-11/h7-10,12H,3-6H2,1-2H3
InChIKeyQHDHLEOTPUSDCH-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.93
Rot. Bonds3

About 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide

2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide (PubChem CID 61046115) 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-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide
PubChem CID61046115
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-10-5-3-4-6-12(10)16(2)19(17,18)11-7-8-15-13(14)9-11/h7-10,12H,3-6H2,1-2H3
InChIKeyQHDHLEOTPUSDCH-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

6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
3-[1-(4-Chlorophenyl)sulfonylpiperidin-2-yl]pyridine
CID 2894141
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 2433231
2-Chloro-5-(pyrrolidine-1-sulfonyl)pyridine
CID 2433223
1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
6-chloro-N-methylpyridine-3-sulfonamide
CID 902063
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
6-Chloropyridine-3-sulfonamide
CID 1201512
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
3-{1-[(4-Chlorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738276
3-[1-(2,4-Dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine
CID 2805684

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide (CID 61046115) is 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide is CC1CCCCC1N(C)S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide?
The InChIKey is QHDHLEOTPUSDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-10-5-3-4-6-12(10)16(2)19(17,18)11-7-8-15-13(14)9-11/h7-10,12H,3-6H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide?
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-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-4-sulfonamide is sourced from PubChem (CID 61046115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).