3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide

C10H20ClNO3S — CID 106364650

IUPAC3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC1CCCCC1CO
InChIInChI=1S/C10H20ClNO3S/c11-6-3-7-16(14,15)12-10-5-2-1-4-9(10)8-13/h9-10,12-13H,1-8H2
InChIKeyMWNBESPSABCOSL-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.09
Rot. Bonds6

About 3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide

3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide (PubChem CID 106364650) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
PubChem CID106364650
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC1CCCCC1CO
InChIInChI=1S/C10H20ClNO3S/c11-6-3-7-16(14,15)12-10-5-2-1-4-9(10)8-13/h9-10,12-13H,1-8H2
InChIKeyMWNBESPSABCOSL-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

3-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]propane-1-sulfonamide
CID 107858978
4-chloro-N-(2-ethylcyclohexyl)butane-1-sulfonamide
CID 116815650
N-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]ethanesulfonamide
CID 86708972
N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 97246599
1-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697794
N-[2-(chloromethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114179813
N-[2-(hydroxymethyl)cyclopentyl]cyclopropanesulfonamide
CID 103835909
methyl 2-[[2-(hydroxymethyl)cyclohexyl]sulfamoyl]acetate
CID 113340135
2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]ethanesulfonamide
CID 107858968
4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 106359885
4-chloro-N-(2-methylsulfanylcyclohexyl)butane-1-sulfonamide
CID 105055808
N-[2-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 103697796

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide (CID 106364650) is 3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide is O=S(=O)(CCCCl)NC1CCCCC1CO.
What is the InChIKey of 3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide?
The InChIKey is MWNBESPSABCOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c11-6-3-7-16(14,15)12-10-5-2-1-4-9(10)8-13/h9-10,12-13H,1-8H2.
What are the key properties of 3-chloro-N-[2-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide?
3-chloro-N-[2-(hydroxymethyl)cyclohexyl]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-(hydroxymethyl)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 106364650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).