2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide

C10H13F2NO3S — CID 5018850

IUPAC2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
SMILESCCC(O)CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO3S/c1-2-8(14)6-13-17(15,16)10-4-3-7(11)5-9(10)12/h3-5,8,13-14H,2,6H2,1H3
InChIKeyRTWSXCDNEWRIHF-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.01
Rot. Bonds5

About 2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide

2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide (PubChem CID 5018850) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
PubChem CID5018850
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC Name2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
SMILESCCC(O)CNS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO3S/c1-2-8(14)6-13-17(15,16)10-4-3-7(11)5-9(10)12/h3-5,8,13-14H,2,6H2,1H3
InChIKeyRTWSXCDNEWRIHF-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-(2-hydroxybutyl)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

N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
CID 113318786
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide
CID 62665959
N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide
CID 66091851
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide
CID 65113216
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 47006077
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755068
1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol
CID 115476595

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide (CID 5018850) is 2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide is CCC(O)CNS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide?
The InChIKey is RTWSXCDNEWRIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-2-8(14)6-13-17(15,16)10-4-3-7(11)5-9(10)12/h3-5,8,13-14H,2,6H2,1H3.
What are the key properties of 2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide?
2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide has a molecular weight of 265.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 5018850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).