4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide

C11H17ClN2O3S — CID 107316375

IUPAC4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCCCCO)c(Cl)c1
InChIInChI=1S/C11H17ClN2O3S/c12-10-8-9(13)4-5-11(10)18(16,17)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7,13H2
InChIKeyRKGOGUGSCKEXKP-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.36
Rot. Bonds7

About 4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide

4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide (PubChem CID 107316375) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
PubChem CID107316375
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCCCCO)c(Cl)c1
InChIInChI=1S/C11H17ClN2O3S/c12-10-8-9(13)4-5-11(10)18(16,17)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7,13H2
InChIKeyRKGOGUGSCKEXKP-UHFFFAOYSA-N
XLogP1.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
4-amino-2-chloro-N-pent-4-enylbenzenesulfonamide
CID 114264577
5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840167
5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316367
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid
CID 107316637
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 103088486
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312
3-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 103918364
5-amino-N-(3-hydroxypropyl)-1H-indole-3-sulfonamide
CID 64853230

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide (CID 107316375) is 4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCCCCO)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide?
The InChIKey is RKGOGUGSCKEXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c12-10-8-9(13)4-5-11(10)18(16,17)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7,13H2.
What are the key properties of 4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide?
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 107316375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).