2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide

C8H16ClNO3S — CID 107858968

IUPAC2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C8H16ClNO3S/c9-5-6-14(12,13)10-7-3-1-2-4-8(7)11/h7-8,10-11H,1-6H2/t7-,8-/m0/s1
InChIKeyVBBZKAZGZDZNQJ-YUMQZZPRSA-N
MW241.74 g/mol
LogP0.45
Rot. Bonds4

About 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide

2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide (PubChem CID 107858968) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide
PubChem CID107858968
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide
SMILESO=S(=O)(CCCl)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C8H16ClNO3S/c9-5-6-14(12,13)10-7-3-1-2-4-8(7)11/h7-8,10-11H,1-6H2/t7-,8-/m0/s1
InChIKeyVBBZKAZGZDZNQJ-YUMQZZPRSA-N
XLogP0.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.45
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

3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
CID 107858978
1-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]methanesulfonamide
CID 107858977
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid
CID 107216293
1-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]methanesulfonamide
CID 104953228
3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
CID 106364650
ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
CID 104922331
2-chloro-N-(2,3-dimethylcyclopentyl)ethanesulfonamide
CID 107652077
2-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)ethanesulfonamide
CID 107651448
2-(methylsulfamoylamino)cycloheptan-1-ol
CID 114809764
N-(2-hydroxycyclohexyl)oxane-4-sulfonamide
CID 55064030
4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide
CID 116815650
4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide
CID 105055808

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide (CID 107858968) is 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide is O=S(=O)(CCCl)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide?
The InChIKey is VBBZKAZGZDZNQJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c9-5-6-14(12,13)10-7-3-1-2-4-8(7)11/h7-8,10-11H,1-6H2/t7-,8-/m0/s1.
What are the key properties of 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide?
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide has a molecular weight of 241.74 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide is sourced from PubChem (CID 107858968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).