4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide

C10H15FN2O3S — CID 64929989

IUPAC4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C10H15FN2O3S/c1-7(14)4-5-13-17(15,16)10-3-2-8(12)6-9(10)11/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyGPGKXSLFERPUKL-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.46
Rot. Bonds5

About 4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide

4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide (PubChem CID 64929989) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
PubChem CID64929989
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C10H15FN2O3S/c1-7(14)4-5-13-17(15,16)10-3-2-8(12)6-9(10)11/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyGPGKXSLFERPUKL-UHFFFAOYSA-N
XLogP0.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.46
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

5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 107343624
4-amino-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903343
5-amino-N-(3-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 64928024
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
4-(4-amino-2-fluoroanilino)butan-2-ol
CID 64928841
3-fluoro-4-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120547
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 113474881
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-fluorobenzenesulfonamide
CID 63294173
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluorobenzenesulfonamide
CID 62976254

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide (CID 64929989) is 4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide is CC(O)CCNS(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide?
The InChIKey is GPGKXSLFERPUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-7(14)4-5-13-17(15,16)10-3-2-8(12)6-9(10)11/h2-3,6-7,13-14H,4-5,12H2,1H3.
What are the key properties of 4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide?
4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 64929989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).