2-amino-N-(2-methylbutyl)benzenesulfonamide

C11H18N2O2S — CID 62699266

IUPAC2-amino-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H18N2O2S/c1-3-9(2)8-13-16(14,15)11-7-5-4-6-10(11)12/h4-7,9,13H,3,8,12H2,1-2H3
InChIKeyCQHPWYVCGSYWMU-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.59
Rot. Bonds5

About 2-amino-N-(2-methylbutyl)benzenesulfonamide

2-amino-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 62699266) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-amino-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methylbutyl)benzenesulfonamide
PubChem CID62699266
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-amino-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C11H18N2O2S/c1-3-9(2)8-13-16(14,15)11-7-5-4-6-10(11)12/h4-7,9,13H,3,8,12H2,1-2H3
InChIKeyCQHPWYVCGSYWMU-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991124
2-amino-4,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 62699271
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
3-amino-2,4-dichloro-N-(2-methylbutyl)benzenesulfonamide
CID 113469315
5-amino-4-bromo-2-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 114625611
8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide
CID 25036817
2-cyano-3-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 86043325
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
3-fluoro-N-(2-methylbutyl)-2-nitrobenzenesulfonamide
CID 112674559

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2-methylbutyl)benzenesulfonamide (CID 62699266) is 2-amino-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CNS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is CQHPWYVCGSYWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-9(2)8-13-16(14,15)11-7-5-4-6-10(11)12/h4-7,9,13H,3,8,12H2,1-2H3.
What are the key properties of 2-amino-N-(2-methylbutyl)benzenesulfonamide?
2-amino-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 62699266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).