4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide

C11H22ClNO3S — CID 116816252

IUPAC4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCC1CCCCC1O
InChIInChI=1S/C11H22ClNO3S/c12-7-3-4-8-17(15,16)13-9-10-5-1-2-6-11(10)14/h10-11,13-14H,1-9H2
InChIKeyQVTJSLVADZDEAM-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.48
Rot. Bonds7

About 4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide

4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide (PubChem CID 116816252) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is 4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
PubChem CID116816252
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC Name4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCC1CCCCC1O
InChIInChI=1S/C11H22ClNO3S/c12-7-3-4-8-17(15,16)13-9-10-5-1-2-6-11(10)14/h10-11,13-14H,1-9H2
InChIKeyQVTJSLVADZDEAM-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 64912535
N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
CID 64929072
N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 64913483
N-[(2-hydroxycyclopentyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103697972
N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79593790
3-chloro-N-[(2-hydroxycyclopentyl)methyl]-2-methylpropane-1-sulfonamide
CID 79588970
N-[(2-hydroxycyclopentyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82843046
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
CID 107858978
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
CID 164656075
4-chloro-N-(3-cyclopentylpropyl)butane-1-sulfonamide
CID 105055639
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide (CID 116816252) is 4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide is O=S(=O)(CCCCCl)NCC1CCCCC1O.
What is the InChIKey of 4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide?
The InChIKey is QVTJSLVADZDEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c12-7-3-4-8-17(15,16)13-9-10-5-1-2-6-11(10)14/h10-11,13-14H,1-9H2.
What are the key properties of 4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide?
4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide has a molecular weight of 283.82 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 116816252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).