6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide

C12H17ClN2O3S — CID 102631872

IUPAC6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O3S/c1-15(10-4-2-3-5-11(10)16)19(17,18)9-6-7-12(13)14-8-9/h6-8,10-11,16H,2-5H2,1H3
InChIKeyABKQRCWZNNDEJB-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.66
Rot. Bonds3

About 6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide

6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide (PubChem CID 102631872) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
PubChem CID102631872
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C12H17ClN2O3S/c1-15(10-4-2-3-5-11(10)16)19(17,18)9-6-7-12(13)14-8-9/h6-8,10-11,16H,2-5H2,1H3
InChIKeyABKQRCWZNNDEJB-UHFFFAOYSA-N
XLogP1.66
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341247
N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide
CID 124758353
3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102632222
6-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61046307
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
6-chloro-N-cyclopropyl-N-ethylpyridine-3-sulfonamide
CID 43243310
2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635648
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N,4-dimethylbenzenesulfonamide
CID 110125865
3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635668
2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide
CID 98557309
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 100579283

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide (CID 102631872) is 6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide is CN(C1CCCCC1O)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is ABKQRCWZNNDEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-15(10-4-2-3-5-11(10)16)19(17,18)9-6-7-12(13)14-8-9/h6-8,10-11,16H,2-5H2,1H3.
What are the key properties of 6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide?
6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 102631872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).