2-(2-methylbutylamino)benzenesulfonamide

C11H18N2O2S — CID 62692672

IUPAC2-(2-methylbutylamino)benzenesulfonamide
SMILESCCC(C)CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-3-9(2)8-13-10-6-4-5-7-11(10)16(12,14)15/h4-7,9,13H,3,8H2,1-2H3,(H2,12,14,15)
InChIKeyCTENMZSDMRPCJV-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.79
Rot. Bonds5

About 2-(2-methylbutylamino)benzenesulfonamide

2-(2-methylbutylamino)benzenesulfonamide (PubChem CID 62692672) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(2-methylbutylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-methylbutylamino)benzenesulfonamide
PubChem CID62692672
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(2-methylbutylamino)benzenesulfonamide
SMILESCCC(C)CNc1ccccc1S(N)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-3-9(2)8-13-10-6-4-5-7-11(10)16(12,14)15/h4-7,9,13H,3,8H2,1-2H3,(H2,12,14,15)
InChIKeyCTENMZSDMRPCJV-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(2-sulfamoylanilino)butanoic acid
CID 81065364
2-(2,2-difluoroethylamino)benzenesulfonamide
CID 115407559
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide
CID 107159038
2-hydroxy-3-(2-sulfamoylanilino)propanamide
CID 106170840
2-(2,3-dimethoxypropylamino)benzenesulfonamide
CID 114100732
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
2-amino-3-[(3-ethyl-2-hydroxypentyl)amino]benzenesulfonamide
CID 106284293
N-(2-methylbutyl)-2-nitroaniline
CID 43718114
2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282668

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylamino)benzenesulfonamide?
The IUPAC name of 2-(2-methylbutylamino)benzenesulfonamide (CID 62692672) is 2-(2-methylbutylamino)benzenesulfonamide.
What is the SMILES notation for 2-(2-methylbutylamino)benzenesulfonamide?
The canonical SMILES for 2-(2-methylbutylamino)benzenesulfonamide is CCC(C)CNc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-methylbutylamino)benzenesulfonamide?
The InChIKey is CTENMZSDMRPCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-9(2)8-13-10-6-4-5-7-11(10)16(12,14)15/h4-7,9,13H,3,8H2,1-2H3,(H2,12,14,15).
What are the key properties of 2-(2-methylbutylamino)benzenesulfonamide?
2-(2-methylbutylamino)benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylamino)benzenesulfonamide is sourced from PubChem (CID 62692672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).