2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

C9H13ClN2O3S — CID 107213300

IUPAC2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C9H13ClN2O3S/c1-6(13)5-12-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5,11H2,1H3/t6-/m1/s1
InChIKeyYUTJMZRGMDDESF-ZCFIWIBFSA-N
MW264.73 g/mol
LogP0.58
Rot. Bonds4

About 2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 107213300) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
PubChem CID107213300
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C9H13ClN2O3S/c1-6(13)5-12-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5,11H2,1H3/t6-/m1/s1
InChIKeyYUTJMZRGMDDESF-ZCFIWIBFSA-N
XLogP0.58
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 50.58
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

2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150822
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide
CID 113495498
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405321
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
2-amino-5-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150851
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 107213312
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide (CID 107213300) is 2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide is C[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is YUTJMZRGMDDESF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c1-6(13)5-12-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5,11H2,1H3/t6-/m1/s1.
What are the key properties of 2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 264.73 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 107213300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).