(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide

C8H8F3NO3S — CID 174833873

IUPAC(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide
SMILESCOc1c(F)ccc(C(F)S(N)(=O)=O)c1F
InChIInChI=1S/C8H8F3NO3S/c1-15-7-5(9)3-2-4(6(7)10)8(11)16(12,13)14/h2-3,8H,1H3,(H2,12,13,14)
InChIKeyUNZXYWAUPJRJDN-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.23
Rot. Bonds3

About (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide

(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide (PubChem CID 174833873) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide.

Molecular Properties

Compound Name(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide
PubChem CID174833873
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide
SMILESCOc1c(F)ccc(C(F)S(N)(=O)=O)c1F
InChIInChI=1S/C8H8F3NO3S/c1-15-7-5(9)3-2-4(6(7)10)8(11)16(12,13)14/h2-3,8H,1H3,(H2,12,13,14)
InChIKeyUNZXYWAUPJRJDN-UHFFFAOYSA-N
XLogP1.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-fluoromethanesulfonamide
CID 90425501
1-(2,4-difluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
CID 130132864
4-amino-4-(2,4-difluoro-3-methoxyphenyl)butanoic acid
CID 117364223
2,4-difluoro-3-methoxybenzenesulfonyl chloride
CID 84703410
1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164895051
1,2-difluoro-3-methoxy-4-propan-2-ylbenzene
CID 123427899
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
6-fluoro-7-methoxy-1H-indole-2,3-dione
CID 22274397
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine
CID 117407315
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
1-[4-(difluoromethyl)-3-fluoro-2-methoxyphenyl]ethanone
CID 131332582
6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride
CID 138987464

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide?
The IUPAC name of (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide (CID 174833873) is (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide.
What is the SMILES notation for (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide?
The canonical SMILES for (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide is COc1c(F)ccc(C(F)S(N)(=O)=O)c1F.
What is the InChIKey of (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide?
The InChIKey is UNZXYWAUPJRJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c1-15-7-5(9)3-2-4(6(7)10)8(11)16(12,13)14/h2-3,8H,1H3,(H2,12,13,14).
What are the key properties of (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide?
(2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide has a molecular weight of 255.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-3-methoxyphenyl)-fluoromethanesulfonamide is sourced from PubChem (CID 174833873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).