2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide

C12H19ClN2O3S — CID 107150822

IUPAC2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H19ClN2O3S/c1-8(2)5-10(16)7-15-19(17,18)12-4-3-9(13)6-11(12)14/h3-4,6,8,10,15-16H,5,7,14H2,1-2H3
InChIKeyVSSJEZWAWFQZAB-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.61
Rot. Bonds6

About 2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide

2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide (PubChem CID 107150822) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
PubChem CID107150822
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H19ClN2O3S/c1-8(2)5-10(16)7-15-19(17,18)12-4-3-9(13)6-11(12)14/h3-4,6,8,10,15-16H,5,7,14H2,1-2H3
InChIKeyVSSJEZWAWFQZAB-UHFFFAOYSA-N
XLogP1.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.61
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-5-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150851
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide
CID 113495498
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
5-chloro-2-cyano-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103834427
2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405321
5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide
CID 107150811
1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol
CID 107151018
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333180
4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 113431244
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide (CID 107150822) is 2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide is CC(C)CC(O)CNS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide?
The InChIKey is VSSJEZWAWFQZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-8(2)5-10(16)7-15-19(17,18)12-4-3-9(13)6-11(12)14/h3-4,6,8,10,15-16H,5,7,14H2,1-2H3.
What are the key properties of 2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide?
2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide has a molecular weight of 306.81 g/mol, XLogP of 1.61, 6 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-(2-hydroxy-4-methylpentyl)benzenesulfonamide is sourced from PubChem (CID 107150822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).