3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide

C11H22ClNO2S — CID 18361161

IUPAC3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCCC1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c12-8-4-10-16(14,15)13-9-7-11-5-2-1-3-6-11/h11,13H,1-10H2
InChIKeyHEZLVTDIUSAJBD-UHFFFAOYSA-N
MW267.82 g/mol
LogP2.51
Rot. Bonds7

About 3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide

3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide (PubChem CID 18361161) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide
PubChem CID18361161
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC Name3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCCC1CCCCC1
InChIInChI=1S/C11H22ClNO2S/c12-8-4-10-16(14,15)13-9-7-11-5-2-1-3-6-11/h11,13H,1-10H2
InChIKeyHEZLVTDIUSAJBD-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 54877703
3-chloro-N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 54877704
3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 54877819
N-[[2-(chloromethyl)cyclohexyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058941
N-[(2-chlorocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059867
N-[(3-chlorocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106136085
N-[(4-chlorocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114148392
N-(2-cyclohexylethyl)-N-propanesulfonylamine
CID 18361106
N-(2-cyclohexylethyl)ethanesulfonamide
CID 61354861
N-(2-cyclohexylethyl)hexane-1-sulfonamide
CID 67178326
6-amino-N-(2-cyclohexylethyl)hexane-1-sulfonamide
CID 70654491
N-(4-chlorobutan-2-yl)-1-cyclohexylmethanesulfonamide
CID 83179586

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide (CID 18361161) is 3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide is O=S(=O)(CCCCl)NCCC1CCCCC1.
What is the InChIKey of 3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide?
The InChIKey is HEZLVTDIUSAJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c12-8-4-10-16(14,15)13-9-7-11-5-2-1-3-6-11/h11,13H,1-10H2.
What are the key properties of 3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide?
3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide has a molecular weight of 267.82 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclohexylethyl)propane-1-sulfonamide is sourced from PubChem (CID 18361161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).