3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide

C10H14F2N2O3S — CID 107343624

IUPAC3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C10H14F2N2O3S/c1-6(15)4-5-14-18(16,17)8-3-2-7(11)10(13)9(8)12/h2-3,6,14-15H,4-5,13H2,1H3
InChIKeyVJXVVFKCLOFTAW-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.60
Rot. Bonds5

About 3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide

3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide (PubChem CID 107343624) has the molecular formula C10H14F2N2O3S and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
PubChem CID107343624
Molecular FormulaC10H14F2N2O3S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C10H14F2N2O3S/c1-6(15)4-5-14-18(16,17)8-3-2-7(11)10(13)9(8)12/h2-3,6,14-15H,4-5,13H2,1H3
InChIKeyVJXVVFKCLOFTAW-UHFFFAOYSA-N
XLogP0.60
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.60
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

3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
3-amino-2,4-difluoro-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 107343857
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
3-amino-2,4-difluoro-N-(3-hydroxy-4-methoxybutyl)benzenesulfonamide
CID 106242536
4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929989
3-amino-N-but-3-enyl-2,4-difluorobenzenesulfonamide
CID 107343822
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
3-amino-2,4-difluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 107343575
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2,4-difluorobenzenesulfonamide
CID 107343536
3-amino-2,4-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 114159860
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
3-amino-N-(2-bromoprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343821

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide (CID 107343624) is 3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide is CC(O)CCNS(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide?
The InChIKey is VJXVVFKCLOFTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3S/c1-6(15)4-5-14-18(16,17)8-3-2-7(11)10(13)9(8)12/h2-3,6,14-15H,4-5,13H2,1H3.
What are the key properties of 3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide has a molecular weight of 280.30 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 107343624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).