4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide

C11H18N2O3S — CID 83177341

IUPAC4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NC(C)CCO
InChIInChI=1S/C11H18N2O3S/c1-8-7-10(12)3-4-11(8)17(15,16)13-9(2)5-6-14/h3-4,7,9,13-14H,5-6,12H2,1-2H3
InChIKeyMTPAIOQFRQWOCW-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.63
Rot. Bonds5

About 4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide

4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide (PubChem CID 83177341) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
PubChem CID83177341
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NC(C)CCO
InChIInChI=1S/C11H18N2O3S/c1-8-7-10(12)3-4-11(8)17(15,16)13-9(2)5-6-14/h3-4,7,9,13-14H,5-6,12H2,1-2H3
InChIKeyMTPAIOQFRQWOCW-UHFFFAOYSA-N
XLogP0.63
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176400
4-amino-2-cyano-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176394
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzenesulfonamide
CID 79248112
5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576401
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291367
5-(4-hydroxybutan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 83177838
4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 106347954
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
3-(4-hydroxybutan-2-ylsulfamoyl)-4,5-dimethylbenzoic acid
CID 83176295
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83177701
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766
5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide
CID 106348013

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide (CID 83177341) is 4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NC(C)CCO.
What is the InChIKey of 4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is MTPAIOQFRQWOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8-7-10(12)3-4-11(8)17(15,16)13-9(2)5-6-14/h3-4,7,9,13-14H,5-6,12H2,1-2H3.
What are the key properties of 4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide?
4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 83177341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).