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

C11H16ClFN2O3S — CID 107316367

IUPAC5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCCCCO)c(Cl)cc1F
InChIInChI=1S/C11H16ClFN2O3S/c12-8-6-9(13)10(14)7-11(8)19(17,18)15-4-2-1-3-5-16/h6-7,15-16H,1-5,14H2
InChIKeyHULRXWOMXWNYNR-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.50
Rot. Bonds7

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

5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide (PubChem CID 107316367) has the molecular formula C11H16ClFN2O3S and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide
PubChem CID107316367
Molecular FormulaC11H16ClFN2O3S
Molecular Weight310.78 g/mol
Exact Mass310.06
IUPAC Name5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCCCCO)c(Cl)cc1F
InChIInChI=1S/C11H16ClFN2O3S/c12-8-6-9(13)10(14)7-11(8)19(17,18)15-4-2-1-3-5-16/h6-7,15-16H,1-5,14H2
InChIKeyHULRXWOMXWNYNR-UHFFFAOYSA-N
XLogP1.50
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.50
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 5-amino-2-chloro-4-fluoro-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-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840238
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316375
5-amino-2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 82949557
5-amino-2-chloro-4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479655
5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106333642
5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425795
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
CID 61165880
5-amino-2-chloro-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61111152
2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355879
3-amino-5-chloro-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843473
5-amino-2-chloro-4-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113557
2,5-dichloro-N-(5-hydroxypentyl)thiophene-3-sulfonamide
CID 107319312

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide (CID 107316367) is 5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCCCCCO)c(Cl)cc1F.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide?
The InChIKey is HULRXWOMXWNYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O3S/c12-8-6-9(13)10(14)7-11(8)19(17,18)15-4-2-1-3-5-16/h6-7,15-16H,1-5,14H2.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide has a molecular weight of 310.78 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 107316367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).