1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide

C7H14ClNO3S — CID 107858977

IUPAC1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
SMILESO=S(=O)(CCl)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C7H14ClNO3S/c8-5-13(11,12)9-6-3-1-2-4-7(6)10/h6-7,9-10H,1-5H2/t6-,7-/m1/s1
InChIKeyXDMZUUAGDFJFGP-RNFRBKRXSA-N
MW227.71 g/mol
LogP0.41
Rot. Bonds3

About 1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide

1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide (PubChem CID 107858977) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
PubChem CID107858977
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
SMILESO=S(=O)(CCl)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C7H14ClNO3S/c8-5-13(11,12)9-6-3-1-2-4-7(6)10/h6-7,9-10H,1-5H2/t6-,7-/m1/s1
InChIKeyXDMZUUAGDFJFGP-RNFRBKRXSA-N
XLogP0.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.41
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
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
CID 107858978
1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]methanesulfonamide
CID 104953228
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid
CID 107216293
1-chloro-N-cycloheptylmethanesulfonamide
CID 63666370
ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
CID 104922331
2-(methylsulfamoylamino)cycloheptan-1-ol
CID 114809764
1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
CID 63666238
1-chloro-N-(2-methoxycyclopentyl)methanesulfonamide
CID 63665826
1-chloro-N-(2-methylcyclopropyl)methanesulfonamide
CID 63663964
N-[(1R,2R)-2-hydroxycyclohexyl]-1-(4-nitrophenyl)methanesulfonamide
CID 104922450
N-(2-hydroxycyclohexyl)oxane-4-sulfonamide
CID 55064030

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide?
The IUPAC name of 1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide (CID 107858977) is 1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide.
What is the SMILES notation for 1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide?
The canonical SMILES for 1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide is O=S(=O)(CCl)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide?
The InChIKey is XDMZUUAGDFJFGP-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c8-5-13(11,12)9-6-3-1-2-4-7(6)10/h6-7,9-10H,1-5H2/t6-,7-/m1/s1.
What are the key properties of 1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide?
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide has a molecular weight of 227.71 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide is sourced from PubChem (CID 107858977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).