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

C10H16N2O2S — CID 860617

IUPAC4-amino-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7,11H2,1-2H3
InChIKeyQOKGSVHQDFFSRS-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.20
Rot. Bonds4

About 4-amino-N-(2-methylpropyl)benzenesulfonamide

4-amino-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 860617) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)benzenesulfonamide
PubChem CID860617
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-amino-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7,11H2,1-2H3
InChIKeyQOKGSVHQDFFSRS-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)benzenesulfonamide (CID 860617) is 4-amino-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is QOKGSVHQDFFSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7,11H2,1-2H3.
What are the key properties of 4-amino-N-(2-methylpropyl)benzenesulfonamide?
4-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 4-amino-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 860617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).