3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide

C11H18N2O3S — CID 43498714

IUPAC3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)O)cc(N)c1C
InChIInChI=1S/C11H18N2O3S/c1-7-4-10(5-11(12)9(7)3)17(15,16)13-6-8(2)14/h4-5,8,13-14H,6,12H2,1-3H3
InChIKeyIDGNHZHOIVECHC-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.54
Rot. Bonds4

About 3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide

3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 43498714) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
PubChem CID43498714
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)O)cc(N)c1C
InChIInChI=1S/C11H18N2O3S/c1-7-4-10(5-11(12)9(7)3)17(15,16)13-6-8(2)14/h4-5,8,13-14H,6,12H2,1-3H3
InChIKeyIDGNHZHOIVECHC-UHFFFAOYSA-N
XLogP0.54
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide 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

3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903371
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide
CID 106113471
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
3-amino-N-(5-hydroxy-4-methylpentyl)-4,5-dimethylbenzenesulfonamide
CID 106152997
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372033
N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide
CID 50876433
4-bromo-N-[(2S)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 51681214
6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
CID 93081246
3-amino-N-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethylbenzenesulfonamide
CID 62499253
3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
CID 43370956

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide (CID 43498714) is 3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)O)cc(N)c1C.
What is the InChIKey of 3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is IDGNHZHOIVECHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-7-4-10(5-11(12)9(7)3)17(15,16)13-6-8(2)14/h4-5,8,13-14H,6,12H2,1-3H3.
What are the key properties of 3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide?
3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43498714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).