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

C10H15ClN2O3S — CID 107213312

IUPAC5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)O)cc1N
InChIInChI=1S/C10H15ClN2O3S/c1-6-3-8(11)10(4-9(6)12)17(15,16)13-5-7(2)14/h3-4,7,13-14H,5,12H2,1-2H3/t7-/m1/s1
InChIKeyIPZWYFFEIQJGKB-SSDOTTSWSA-N
MW278.76 g/mol
LogP0.89
Rot. Bonds4

About 5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide

5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide (PubChem CID 107213312) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide
PubChem CID107213312
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)O)cc1N
InChIInChI=1S/C10H15ClN2O3S/c1-6-3-8(11)10(4-9(6)12)17(15,16)13-5-7(2)14/h3-4,7,13-14H,5,12H2,1-2H3/t7-/m1/s1
InChIKeyIPZWYFFEIQJGKB-SSDOTTSWSA-N
XLogP0.89
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 50.89
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

2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
CID 25252490
4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
CID 3465021
5-amino-2-chloro-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324554
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
3-amino-N-[(2S)-2-hydroxypropyl]-2,5-dimethylbenzenesulfonamide
CID 107213362
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
CID 43845575
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methylbenzenesulfonamide
CID 106140140
5-bromo-N-[(2S)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 51860913
2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 83030925

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide (CID 107213312) is 5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide is Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)O)cc1N.
What is the InChIKey of 5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide?
The InChIKey is IPZWYFFEIQJGKB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-6-3-8(11)10(4-9(6)12)17(15,16)13-5-7(2)14/h3-4,7,13-14H,5,12H2,1-2H3/t7-/m1/s1.
What are the key properties of 5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide?
5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide has a molecular weight of 278.76 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 107213312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).