(3-fluoro-5-methoxyphenyl)methanesulfonamide

C8H10FNO3S — CID 165443567

IUPAC(3-fluoro-5-methoxyphenyl)methanesulfonamide
SMILESCOc1cc(F)cc(CS(N)(=O)=O)c1
InChIInChI=1S/C8H10FNO3S/c1-13-8-3-6(2-7(9)4-8)5-14(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyUGVYDUIBYSPYIG-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.62
Rot. Bonds3

About (3-fluoro-5-methoxyphenyl)methanesulfonamide

(3-fluoro-5-methoxyphenyl)methanesulfonamide (PubChem CID 165443567) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is (3-fluoro-5-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name(3-fluoro-5-methoxyphenyl)methanesulfonamide
PubChem CID165443567
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Name(3-fluoro-5-methoxyphenyl)methanesulfonamide
SMILESCOc1cc(F)cc(CS(N)(=O)=O)c1
InChIInChI=1S/C8H10FNO3S/c1-13-8-3-6(2-7(9)4-8)5-14(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyUGVYDUIBYSPYIG-UHFFFAOYSA-N
XLogP0.62
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
3-fluoro-5-[(4-methoxyphenyl)sulfonylmethyl]aniline
CID 115980924
(2R)-1-(3-fluoro-5-methoxyphenyl)propan-2-amine
CID 124510333
1-bromo-3-fluoro-5-methoxybenzene;N-[(3-bromo-5-fluorophenyl)methyl]methanesulfonamide;methanamine
CID 162132009
methyl 3-(3-fluoro-5-methoxyphenyl)propanoate
CID 68895290
1-(3-fluoro-5-methoxyphenyl)-N,N-bis(iodomethyl)methanamine
CID 170080939
(4-fluorophenyl)methanesulfonamide
CID 16785078
(3-bromo-4,5-dimethoxyphenyl)methanesulfonamide
CID 165443466
1-[(3,5-difluorophenyl)methylsulfonylmethyl]-3,5-difluorobenzene
CID 68587062
3-(benzenesulfonylmethyl)-5-methoxyaniline
CID 81155112
methyl 5-(3-fluoro-5-methoxyphenyl)pentanoate
CID 169128266
methyl 2-[(3-amino-5-methoxyphenyl)methylsulfonyl]acetate
CID 81154697

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methoxyphenyl)methanesulfonamide?
The IUPAC name of (3-fluoro-5-methoxyphenyl)methanesulfonamide (CID 165443567) is (3-fluoro-5-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for (3-fluoro-5-methoxyphenyl)methanesulfonamide?
The canonical SMILES for (3-fluoro-5-methoxyphenyl)methanesulfonamide is COc1cc(F)cc(CS(N)(=O)=O)c1.
What is the InChIKey of (3-fluoro-5-methoxyphenyl)methanesulfonamide?
The InChIKey is UGVYDUIBYSPYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S/c1-13-8-3-6(2-7(9)4-8)5-14(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12).
What are the key properties of (3-fluoro-5-methoxyphenyl)methanesulfonamide?
(3-fluoro-5-methoxyphenyl)methanesulfonamide has a molecular weight of 219.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 165443567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).