3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide

C11H16ClFN2O3S — CID 103052137

IUPAC3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide
SMILESCC(O)CCN(C)S(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H16ClFN2O3S/c1-7(16)3-4-15(2)19(17,18)10-6-8(12)5-9(14)11(10)13/h5-7,16H,3-4,14H2,1-2H3
InChIKeyVHBPZTLHPYCINJ-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.45
Rot. Bonds5

About 3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide

3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide (PubChem CID 103052137) has the molecular formula C11H16ClFN2O3S and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide
PubChem CID103052137
Molecular FormulaC11H16ClFN2O3S
Molecular Weight310.78 g/mol
Exact Mass310.06
IUPAC Name3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide
SMILESCC(O)CCN(C)S(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C11H16ClFN2O3S/c1-7(16)3-4-15(2)19(17,18)10-6-8(12)5-9(14)11(10)13/h5-7,16H,3-4,14H2,1-2H3
InChIKeyVHBPZTLHPYCINJ-UHFFFAOYSA-N
XLogP1.45
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide 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

3-amino-5-chloro-2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 103051417
5-chloro-2-fluoro-3-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 60951467
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103187486
2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113994
3-amino-5-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzenesulfonamide
CID 116792317
3-amino-5-chloro-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733389
3-amino-5-chloro-N-(2-cyanoethyl)-2-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 103050911
3-amino-5-chloro-2-fluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 103051544
5-amino-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 65020963
2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114749
3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733489
N-(3-hydroxybutyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 115756286

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide (CID 103052137) is 3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide is CC(O)CCN(C)S(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide?
The InChIKey is VHBPZTLHPYCINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O3S/c1-7(16)3-4-15(2)19(17,18)10-6-8(12)5-9(14)11(10)13/h5-7,16H,3-4,14H2,1-2H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide has a molecular weight of 310.78 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103052137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).