3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide

C10H13F2NO3S — CID 64912060

IUPAC3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO3S/c1-7(14)2-3-13-17(15,16)10-5-8(11)4-9(12)6-10/h4-7,13-14H,2-3H2,1H3
InChIKeyXQWLJRUABQPNCV-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.01
Rot. Bonds5

About 3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide

3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide (PubChem CID 64912060) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is 3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
PubChem CID64912060
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC Name3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
SMILESCC(O)CCNS(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO3S/c1-7(14)2-3-13-17(15,16)10-5-8(11)4-9(12)6-10/h4-7,13-14H,2-3H2,1H3
InChIKeyXQWLJRUABQPNCV-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

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Related Compounds

4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
3,5-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606868
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
N-(3-hydroxybutyl)-4-propan-2-ylbenzenesulfonamide
CID 64913123
4-fluoro-N-(3-hydroxybutyl)-3-nitrobenzenesulfonamide
CID 64911034
3-fluoro-N-(3-hydroxybutyl)-4-nitrobenzenesulfonamide
CID 82854209
3-cyano-4-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911013
N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 106125984
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 114145999
4-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929989

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide (CID 64912060) is 3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide is CC(O)CCNS(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide?
The InChIKey is XQWLJRUABQPNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-7(14)2-3-13-17(15,16)10-5-8(11)4-9(12)6-10/h4-7,13-14H,2-3H2,1H3.
What are the key properties of 3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide?
3,5-difluoro-N-(3-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 3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 64912060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).