3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide

C10H20ClNO3S — CID 79586087

IUPAC3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H20ClNO3S/c1-8(6-11)7-16(14,15)12-9-2-4-10(13)5-3-9/h8-10,12-13H,2-7H2,1H3
InChIKeyFXOVWYQNGHQBLS-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.08
Rot. Bonds5

About 3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide

3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide (PubChem CID 79586087) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide
PubChem CID79586087
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H20ClNO3S/c1-8(6-11)7-16(14,15)12-9-2-4-10(13)5-3-9/h8-10,12-13H,2-7H2,1H3
InChIKeyFXOVWYQNGHQBLS-UHFFFAOYSA-N
XLogP1.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.08
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-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)propane-1-sulfonamide
CID 79586175
3-chloro-N-(3,3-dimethylcyclopentyl)-2-methylpropane-1-sulfonamide
CID 114550633
N-(4-hydroxycyclohexyl)-3-methylbutane-1-sulfonamide
CID 63856243
3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 79585064
3-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropane-1-sulfonamide
CID 107854554
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79588967
4-(propan-2-ylsulfamoylamino)cyclohexan-1-ol
CID 103946865
3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide
CID 79588970
3-chloro-N-(2-cyclopropylethyl)-2-methylpropane-1-sulfonamide
CID 79588548
3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methylpropane-1-sulfonamide
CID 79588969
methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
CID 54952583
methyl (2S)-2-[(3-chloro-2-methylpropyl)sulfonylamino]propanoate
CID 79586207

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide (CID 79586087) is 3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)NC1CCC(O)CC1.
What is the InChIKey of 3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide?
The InChIKey is FXOVWYQNGHQBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-8(6-11)7-16(14,15)12-9-2-4-10(13)5-3-9/h8-10,12-13H,2-7H2,1H3.
What are the key properties of 3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide has a molecular weight of 269.79 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-hydroxycyclohexyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79586087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).