4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide

C10H16N2O3S — CID 65036872

IUPAC4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O3S/c1-8(7-13)6-12-16(14,15)10-4-2-9(11)3-5-10/h2-5,8,12-13H,6-7,11H2,1H3
InChIKeyQKIHAYOTJHUZNP-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.18
Rot. Bonds5

About 4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide

4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 65036872) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID65036872
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O3S/c1-8(7-13)6-12-16(14,15)10-4-2-9(11)3-5-10/h2-5,8,12-13H,6-7,11H2,1H3
InChIKeyQKIHAYOTJHUZNP-UHFFFAOYSA-N
XLogP0.18
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.18
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

6-amino-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65036692
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964
1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide
CID 65037107
4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 113431244
4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036761
N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
CID 65033956
2-fluoro-N-(3-hydroxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 65034606
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65034163
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65034551
4-chloro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65034448
1-hydroxyethoxysulfonyl 2-[(4-aminophenyl)sulfonylamino]ethanesulfonate
CID 174742087
3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65034105

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide (CID 65036872) is 4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide is CC(CO)CNS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is QKIHAYOTJHUZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8(7-13)6-12-16(14,15)10-4-2-9(11)3-5-10/h2-5,8,12-13H,6-7,11H2,1H3.
What are the key properties of 4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide?
4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 65036872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).