N-(2-ethylhexyl)butane-1-sulfonamide

C12H27NO2S — CID 19681660

IUPACN-(2-ethylhexyl)butane-1-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)CCCC
InChIInChI=1S/C12H27NO2S/c1-4-7-9-12(6-3)11-13-16(14,15)10-8-5-2/h12-13H,4-11H2,1-3H3
InChIKeyNKEJOSFZJKGSIJ-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.92
Rot. Bonds10

About N-(2-ethylhexyl)butane-1-sulfonamide

N-(2-ethylhexyl)butane-1-sulfonamide (PubChem CID 19681660) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(2-ethylhexyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)butane-1-sulfonamide
PubChem CID19681660
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-(2-ethylhexyl)butane-1-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)CCCC
InChIInChI=1S/C12H27NO2S/c1-4-7-9-12(6-3)11-13-16(14,15)10-8-5-2/h12-13H,4-11H2,1-3H3
InChIKeyNKEJOSFZJKGSIJ-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(2-ethylhexyl)methanesulfonamide
CID 5176352
Cyclohexyl-3-amino-1-propanesulfonic acid
CID 54166191
N-(cyclohexylmethyl)cyclohexanesulfonamide
CID 72138709
1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
N-(cyclohexylmethyl)-2-methoxyethanesulfonamide
CID 72148758
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-[(1R,3S)-3-ethylcyclopentyl]-3-fluoropropane-1-sulfonamide
CID 70642520
(4-Methanesulfonylcyclohexyl)methanamine
CID 84719803
N-nonylpropane-1-sulfonamide
CID 47071850
N-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide
CID 134966480
Sodium 2-((2-ethylhexyl)amino)ethanesulphonate
CID 23662637

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)butane-1-sulfonamide?
The IUPAC name of N-(2-ethylhexyl)butane-1-sulfonamide (CID 19681660) is N-(2-ethylhexyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-ethylhexyl)butane-1-sulfonamide is CCCCC(CC)CNS(=O)(=O)CCCC.
What is the InChIKey of N-(2-ethylhexyl)butane-1-sulfonamide?
The InChIKey is NKEJOSFZJKGSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-4-7-9-12(6-3)11-13-16(14,15)10-8-5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)butane-1-sulfonamide?
N-(2-ethylhexyl)butane-1-sulfonamide has a molecular weight of 249.42 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)butane-1-sulfonamide is sourced from PubChem (CID 19681660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).