3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide

C13H10F3NO3S — CID 81264877

IUPAC3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(OCc2cccc(F)c2)c(F)c1
InChIInChI=1S/C13H10F3NO3S/c14-9-3-1-2-8(4-9)7-20-13-11(15)5-10(6-12(13)16)21(17,18)19/h1-6H,7H2,(H2,17,18,19)
InChIKeyLQUCJNFWWIITOG-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.33
Rot. Bonds4

About 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide

3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide (PubChem CID 81264877) has the molecular formula C13H10F3NO3S and a molecular weight of 317.29 g/mol. Its IUPAC name is 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
PubChem CID81264877
Molecular FormulaC13H10F3NO3S
Molecular Weight317.29 g/mol
Exact Mass317.03
IUPAC Name3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)c(OCc2cccc(F)c2)c(F)c1
InChIInChI=1S/C13H10F3NO3S/c14-9-3-1-2-8(4-9)7-20-13-11(15)5-10(6-12(13)16)21(17,18)19/h1-6H,7H2,(H2,17,18,19)
InChIKeyLQUCJNFWWIITOG-UHFFFAOYSA-N
XLogP2.33
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluorophenyl)methoxy]-3,5-dimethylbenzenesulfonamide
CID 43342485
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 81264847
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342382
N-[[3,5-difluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882208
2,5-dichloro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342560
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde
CID 122476157
1-bromo-3-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 63536395
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 91686030
3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43108388
3-[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]propanamide
CID 91686226

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide (CID 81264877) is 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide is NS(=O)(=O)c1cc(F)c(OCc2cccc(F)c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide?
The InChIKey is LQUCJNFWWIITOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3S/c14-9-3-1-2-8(4-9)7-20-13-11(15)5-10(6-12(13)16)21(17,18)19/h1-6H,7H2,(H2,17,18,19).
What are the key properties of 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide?
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide has a molecular weight of 317.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 81264877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).