3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide

C9H18ClNO3S — CID 107858978

IUPAC3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H18ClNO3S/c10-6-3-7-15(13,14)11-8-4-1-2-5-9(8)12/h8-9,11-12H,1-7H2/t8-,9-/m1/s1
InChIKeyUWCFGKPIRFAMNG-RKDXNWHRSA-N
MW255.77 g/mol
LogP0.84
Rot. Bonds5

About 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide

3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide (PubChem CID 107858978) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
PubChem CID107858978
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H18ClNO3S/c10-6-3-7-15(13,14)11-8-4-1-2-5-9(8)12/h8-9,11-12H,1-7H2/t8-,9-/m1/s1
InChIKeyUWCFGKPIRFAMNG-RKDXNWHRSA-N
XLogP0.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide
CID 107858968
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
CID 106364650
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid
CID 107216293
3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 64912535
1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]methanesulfonamide
CID 104953228
4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide
CID 116815650
4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide
CID 105055808
6-chloro-N-cyclopentylhexane-1-sulfonamide
CID 22111628
6-chloro-N-cyclohexylhexane-1-sulfonamide
CID 22111516
4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 116816252
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide (CID 107858978) is 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide is O=S(=O)(CCCCl)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide?
The InChIKey is UWCFGKPIRFAMNG-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c10-6-3-7-15(13,14)11-8-4-1-2-5-9(8)12/h8-9,11-12H,1-7H2/t8-,9-/m1/s1.
What are the key properties of 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide?
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide has a molecular weight of 255.77 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 107858978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).