2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide

C11H17ClN2O3S — CID 113495498

IUPAC2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H17ClN2O3S/c1-2-3-9(15)7-14-18(16,17)11-5-4-8(12)6-10(11)13/h4-6,9,14-15H,2-3,7,13H2,1H3
InChIKeyAIRDLUOAUDSHGU-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.36
Rot. Bonds6

About 2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide

2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide (PubChem CID 113495498) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide
PubChem CID113495498
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H17ClN2O3S/c1-2-3-9(15)7-14-18(16,17)11-5-4-8(12)6-10(11)13/h4-6,9,14-15H,2-3,7,13H2,1H3
InChIKeyAIRDLUOAUDSHGU-UHFFFAOYSA-N
XLogP1.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.36
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-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405321
2-amino-4-chloro-N-pentan-2-ylbenzenesulfonamide
CID 43107543
2-amino-5-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150851
4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
5-amino-N-(2-hydroxypentyl)-2,4-dimethoxybenzenesulfonamide
CID 102946119
ethyl 2-[(2-amino-4-chlorophenyl)sulfonylamino]acetate
CID 60812241
3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
CID 115754475
2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 113495486

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide (CID 113495498) is 2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide is CCCC(O)CNS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide?
The InChIKey is AIRDLUOAUDSHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-2-3-9(15)7-14-18(16,17)11-5-4-8(12)6-10(11)13/h4-6,9,14-15H,2-3,7,13H2,1H3.
What are the key properties of 2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide?
2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.36, 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-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 113495498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).