4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide

C12H20N2O3S — CID 113431244

IUPAC4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H20N2O3S/c1-9(2)7-11(15)8-14-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8,13H2,1-2H3
InChIKeySYWPCZFSUOEKCU-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.95
Rot. Bonds6

About 4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide

4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide (PubChem CID 113431244) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
PubChem CID113431244
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H20N2O3S/c1-9(2)7-11(15)8-14-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8,13H2,1-2H3
InChIKeySYWPCZFSUOEKCU-UHFFFAOYSA-N
XLogP0.95
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide
CID 103834407
methyl 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzoate
CID 103834428
4-amino-N-(2-hydroxy-4-methylpentyl)-3-methoxybenzenesulfonamide
CID 107150845
4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036872
5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide
CID 107150811
2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150822
N-(2-hydroxy-4-methylpentyl)-3-nitrobenzenesulfonamide
CID 104626172
2-amino-5-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150851
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103834466
N-[(2R)-2,4-dihydroxy-4-phenylbutyl]-4-(2-methylpropylamino)benzenesulfonamide
CID 175716954
4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide (CID 113431244) is 4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide is CC(C)CC(O)CNS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide?
The InChIKey is SYWPCZFSUOEKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)7-11(15)8-14-18(16,17)12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8,13H2,1-2H3.
What are the key properties of 4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide?
4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide is sourced from PubChem (CID 113431244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).