2-amino-N-(2-methylpropyl)benzenesulfonamide

C10H16N2O2S — CID 16787736

IUPAC2-amino-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H16N2O2S/c1-8(2)7-12-15(13,14)10-6-4-3-5-9(10)11/h3-6,8,12H,7,11H2,1-2H3
InChIKeyNOPSLGUQVQHCDT-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.20
Rot. Bonds4

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

2-amino-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 16787736) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-amino-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methylpropyl)benzenesulfonamide
PubChem CID16787736
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-amino-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccccc1N
InChIInChI=1S/C10H16N2O2S/c1-8(2)7-12-15(13,14)10-6-4-3-5-9(10)11/h3-6,8,12H,7,11H2,1-2H3
InChIKeyNOPSLGUQVQHCDT-UHFFFAOYSA-N
XLogP1.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.20
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-methylbutyl)benzenesulfonamide
CID 62699266
N-(2-methylpropyl)-2-methylsulfonylbenzenesulfonamide
CID 86922498
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991124
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 30057072
2-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63982430
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
2-(2-aminophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 61368377
2-amino-5-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150851
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2-methylpropyl)benzenesulfonamide (CID 16787736) is 2-amino-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is NOPSLGUQVQHCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(2)7-12-15(13,14)10-6-4-3-5-9(10)11/h3-6,8,12H,7,11H2,1-2H3.
What are the key properties of 2-amino-N-(2-methylpropyl)benzenesulfonamide?
2-amino-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 16787736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).