3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide

C11H18N2O2S — CID 16790437

IUPAC3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C11H18N2O2S/c1-4-11(2,3)13-16(14,15)10-7-5-6-9(12)8-10/h5-8,13H,4,12H2,1-3H3
InChIKeyXDGFNEFZSYDQGV-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.74
Rot. Bonds4

About 3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide

3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 16790437) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID16790437
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C11H18N2O2S/c1-4-11(2,3)13-16(14,15)10-7-5-6-9(12)8-10/h5-8,13H,4,12H2,1-3H3
InChIKeyXDGFNEFZSYDQGV-UHFFFAOYSA-N
XLogP1.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.74
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

3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498666
3-cyano-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7510319
ethyl 3-(2-methylbutan-2-ylsulfamoyl)benzoate
CID 60610967
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 60823010
3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79551722
6-methoxy-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 100505966
2-amino-6-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43452325
4-bromo-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7938230
4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
potassium 3-aminobenzenesulfonate
CID 23716245
tert-butyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 70153486
4-amino-2,6-dibromo-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 43256860

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 16790437) is 3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide is CCC(C)(C)NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is XDGFNEFZSYDQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-11(2,3)13-16(14,15)10-7-5-6-9(12)8-10/h5-8,13H,4,12H2,1-3H3.
What are the key properties of 3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide?
3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 16790437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).