3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide

C10H20ClNO3S — CID 64912535

IUPAC3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCC1CCCCC1O
InChIInChI=1S/C10H20ClNO3S/c11-6-3-7-16(14,15)12-8-9-4-1-2-5-10(9)13/h9-10,12-13H,1-8H2
InChIKeyOTAGAZQGLOHCPB-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.09
Rot. Bonds6

About 3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide

3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide (PubChem CID 64912535) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
PubChem CID64912535
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCC1CCCCC1O
InChIInChI=1S/C10H20ClNO3S/c11-6-3-7-16(14,15)12-8-9-4-1-2-5-10(9)13/h9-10,12-13H,1-8H2
InChIKeyOTAGAZQGLOHCPB-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.09
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

4-chloro-N-[(2-hydroxycyclohexyl)methyl]butane-1-sulfonamide
CID 116816252
N-[(2-hydroxycyclohexyl)methyl]-2-methylsulfonylethanesulfonamide
CID 64911395
3-[(2-hydroxycyclohexyl)methylsulfamoyl]propanoic acid
CID 64929072
N-[(2-hydroxycyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 64913483
3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
CID 107858978
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
2-[[(methylsulfonimidoyl)amino]methyl]cyclohexan-1-ol
CID 164656075
3-chloro-N-(thiolan-2-ylmethyl)propane-1-sulfonamide
CID 80586248
1-hydroxy-2-[(sulfamoylamino)methyl]cyclopentane
CID 112695783

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide (CID 64912535) is 3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide is O=S(=O)(CCCCl)NCC1CCCCC1O.
What is the InChIKey of 3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
The InChIKey is OTAGAZQGLOHCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c11-6-3-7-16(14,15)12-8-9-4-1-2-5-10(9)13/h9-10,12-13H,1-8H2.
What are the key properties of 3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide?
3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide has a molecular weight of 269.79 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-hydroxycyclohexyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 64912535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).