3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide

C11H22ClNO3S — CID 65123213

IUPAC3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)CCCCl)CC1
InChIInChI=1S/C11H22ClNO3S/c1-10-3-5-11(14,6-4-10)9-13-17(15,16)8-2-7-12/h10,13-14H,2-9H2,1H3
InChIKeyQTSUYVLPPTUDSO-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.48
Rot. Bonds6

About 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide

3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide (PubChem CID 65123213) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide
PubChem CID65123213
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC Name3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)CCCCl)CC1
InChIInChI=1S/C11H22ClNO3S/c1-10-3-5-11(14,6-4-10)9-13-17(15,16)8-2-7-12/h10,13-14H,2-9H2,1H3
InChIKeyQTSUYVLPPTUDSO-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.48
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

N-[(1-hydroxy-4-methylcyclohexyl)methyl]butane-1-sulfonamide
CID 65121537
1-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]methanesulfonamide
CID 65123212
1-hydroxy-4-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112573807
1-[(cyclopropylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114809564
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 65121793
3-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]propane-1-sulfonamide
CID 61241657
3-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propane-1-sulfonamide
CID 103968261
1-[(2-methoxyethylsulfamoylamino)methyl]-4-methylcyclohexan-1-ol
CID 114815694
1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4-methylcyclohexane
CID 65121626
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutane-1-sulfonamide
CID 65121314
4-chloro-N-[(1-propylcyclopropyl)methyl]butane-1-sulfonamide
CID 105055894
1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide (CID 65123213) is 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide is CC1CCC(O)(CNS(=O)(=O)CCCCl)CC1.
What is the InChIKey of 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide?
The InChIKey is QTSUYVLPPTUDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-10-3-5-11(14,6-4-10)9-13-17(15,16)8-2-7-12/h10,13-14H,2-9H2,1H3.
What are the key properties of 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide?
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide has a molecular weight of 283.82 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 65123213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).