2-benzylbutane-1-sulfonamide

C11H17NO2S — CID 68809257

IUPAC2-benzylbutane-1-sulfonamide
SMILESCCC(Cc1ccccc1)CS(N)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-2-10(9-15(12,13)14)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,12,13,14)
InChIKeyKHKLHAHXWJBSGR-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.54
Rot. Bonds5

About 2-benzylbutane-1-sulfonamide

2-benzylbutane-1-sulfonamide (PubChem CID 68809257) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-benzylbutane-1-sulfonamide.

Molecular Properties

Compound Name2-benzylbutane-1-sulfonamide
PubChem CID68809257
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-benzylbutane-1-sulfonamide
SMILESCCC(Cc1ccccc1)CS(N)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-2-10(9-15(12,13)14)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,12,13,14)
InChIKeyKHKLHAHXWJBSGR-UHFFFAOYSA-N
XLogP1.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylbutylbenzene;methane
CID 158777195
(2R)-2-benzylbutan-1-amine
CID 42325983
3-benzylpentanoic acid
CID 57185920
2-(phenylmethoxymethyl)pentane-1-sulfonamide
CID 65013117
1-(2-benzylbutyl)pyridin-1-ium;sulfuric acid
CID 70624036
1,3-diphenylpropane-2-sulfonamide
CID 62084735
(1S)-1,2-diphenylethanesulfonamide
CID 15655609
2,2-diphenylethanesulfonamide
CID 68954742
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
fluoro-iodo-(1-phenylbutan-2-yl)borane
CID 90290762
2-[(4-bromophenyl)methoxymethyl]butane-1-sulfonamide
CID 82827482
4-benzylhexan-3-amine
CID 79307662

Frequently Asked Questions

What is the IUPAC name of 2-benzylbutane-1-sulfonamide?
The IUPAC name of 2-benzylbutane-1-sulfonamide (CID 68809257) is 2-benzylbutane-1-sulfonamide.
What is the SMILES notation for 2-benzylbutane-1-sulfonamide?
The canonical SMILES for 2-benzylbutane-1-sulfonamide is CCC(Cc1ccccc1)CS(N)(=O)=O.
What is the InChIKey of 2-benzylbutane-1-sulfonamide?
The InChIKey is KHKLHAHXWJBSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-10(9-15(12,13)14)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,12,13,14).
What are the key properties of 2-benzylbutane-1-sulfonamide?
2-benzylbutane-1-sulfonamide has a molecular weight of 227.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylbutane-1-sulfonamide is sourced from PubChem (CID 68809257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).