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

C11H18N2O3S — CID 43498713

IUPAC5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC(C)O)c1C
InChIInChI=1S/C11H18N2O3S/c1-7-4-10(12)5-11(9(7)3)17(15,16)13-6-8(2)14/h4-5,8,13-14H,6,12H2,1-3H3
InChIKeyWZVHZGKHTOTTQY-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.54
Rot. Bonds4

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

5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 43498713) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
PubChem CID43498713
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCC(C)O)c1C
InChIInChI=1S/C11H18N2O3S/c1-7-4-10(12)5-11(9(7)3)17(15,16)13-6-8(2)14/h4-5,8,13-14H,6,12H2,1-3H3
InChIKeyWZVHZGKHTOTTQY-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'}

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Related Compounds

5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide
CID 107150811
N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide
CID 50876433
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106165001
5-amino-N-(4-hydroxypentyl)-2,3-dimethylbenzenesulfonamide
CID 106119263
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
3-amino-4-fluoro-N-[(2R)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
CID 107326349
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43498714
N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
CID 43845575
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 107213312

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide (CID 43498713) is 5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCC(C)O)c1C.
What is the InChIKey of 5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is WZVHZGKHTOTTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-7-4-10(12)5-11(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 5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide?
5-amino-N-(2-hydroxypropyl)-2,3-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 5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 43498713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).