N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide

C13H26ClNO2S — CID 63396856

IUPACN-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide
SMILESCCCCN(CCCl)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H26ClNO2S/c1-2-3-10-15(11-9-14)18(16,17)12-13-7-5-4-6-8-13/h13H,2-12H2,1H3
InChIKeyWNBCNRPBXNDTSG-UHFFFAOYSA-N
MW295.88 g/mol
LogP3.24
Rot. Bonds8

About N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide

N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide (PubChem CID 63396856) has the molecular formula C13H26ClNO2S and a molecular weight of 295.88 g/mol. Its IUPAC name is N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide
PubChem CID63396856
Molecular FormulaC13H26ClNO2S
Molecular Weight295.88 g/mol
Exact Mass295.14
IUPAC NameN-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide
SMILESCCCCN(CCCl)S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H26ClNO2S/c1-2-3-10-15(11-9-14)18(16,17)12-13-7-5-4-6-8-13/h13H,2-12H2,1H3
InChIKeyWNBCNRPBXNDTSG-UHFFFAOYSA-N
XLogP3.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.88
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-chloropropyl)-1-cyclohexyl-N-propan-2-ylmethanesulfonamide
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N-butyl-N-ethyl-1-piperidin-4-ylmethanesulfonamide
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1-cyclohexyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
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N-butyl-N-(2-chloroethyl)azepane-1-sulfonamide
CID 63396937
N-(2-chloroethyl)-1-cyclopropyl-N-(2,2-difluoroethyl)methanesulfonamide
CID 107492869
methyl 2-[cyclohexylmethylsulfonyl(ethyl)amino]acetate
CID 54998272
N-(2-chloroethyl)-N-(diethylsulfamoyl)butan-1-amine
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N-butyl-N-(cyclohexylmethyl)hydroxylamine
CID 172752366
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propylmethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide (CID 63396856) is N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide is CCCCN(CCCl)S(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is WNBCNRPBXNDTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO2S/c1-2-3-10-15(11-9-14)18(16,17)12-13-7-5-4-6-8-13/h13H,2-12H2,1H3.
What are the key properties of N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide?
N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 295.88 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloroethyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 63396856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).