6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide

C13H19ClN2O2S — CID 124835688

IUPAC6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H19ClN2O2S/c1-9-4-3-5-12(10(9)2)16-19(17,18)11-6-7-13(14)15-8-11/h6-10,12,16H,3-5H2,1-2H3/t9-,10+,12-/m1/s1
InChIKeyDZFKCTMRVXTCJY-JFGNBEQYSA-N
MW302.83 g/mol
LogP2.84
Rot. Bonds3

About 6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide

6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide (PubChem CID 124835688) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide
PubChem CID124835688
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H19ClN2O2S/c1-9-4-3-5-12(10(9)2)16-19(17,18)11-6-7-13(14)15-8-11/h6-10,12,16H,3-5H2,1-2H3/t9-,10+,12-/m1/s1
InChIKeyDZFKCTMRVXTCJY-JFGNBEQYSA-N
XLogP2.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.84
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

6-chloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 103836075
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide
CID 60722058
6-chloro-N-cyclooctylpyridine-3-sulfonamide
CID 7938157
6-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64909491
6-amino-N-(2-methylcyclopentyl)pyridine-3-sulfonamide
CID 63279308
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-sulfonamide
CID 55044375
4-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 42958006
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 98672836
6-cyano-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 114613875

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide (CID 124835688) is 6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide is C[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide?
The InChIKey is DZFKCTMRVXTCJY-JFGNBEQYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-4-3-5-12(10(9)2)16-19(17,18)11-6-7-13(14)15-8-11/h6-10,12,16H,3-5H2,1-2H3/t9-,10+,12-/m1/s1.
What are the key properties of 6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide?
6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide is sourced from PubChem (CID 124835688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).