(3-fluoro-4-methylphenyl)methanesulfonamide

C8H10FNO2S — CID 63648807

IUPAC(3-fluoro-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(N)(=O)=O)cc1F
InChIInChI=1S/C8H10FNO2S/c1-6-2-3-7(4-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyBRGBJOARAPZJCN-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.92
Rot. Bonds2

About (3-fluoro-4-methylphenyl)methanesulfonamide

(3-fluoro-4-methylphenyl)methanesulfonamide (PubChem CID 63648807) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)methanesulfonamide
PubChem CID63648807
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name(3-fluoro-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(CS(N)(=O)=O)cc1F
InChIInChI=1S/C8H10FNO2S/c1-6-2-3-7(4-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKeyBRGBJOARAPZJCN-UHFFFAOYSA-N
XLogP0.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3-fluoro-4-methylphenyl)methanesulfonate
CID 172702190
(4-methoxy-3-methylphenyl)methanesulfonamide
CID 114999092
(4-fluorophenyl)methanesulfonamide
CID 16785078
1-(3-fluoro-4-methylphenyl)-N-methyl-N-prop-2-ynylmethanesulfonamide
CID 99837750
2-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]benzene
CID 159128494
1-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]-3-(2-sulfamoylethyl)guanidine
CID 111846475
1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
CID 23109614
2-[(3-fluoro-4-methylphenyl)methylsulfonylamino]-3-methylbutanoic acid
CID 122067921
1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide
CID 29034630
(3-fluoro-4-methylphenyl)methyl-trimethylazanium
CID 158068561
2-fluoro-4-(2-iodoethyl)-1-methylbenzene
CID 90129406
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)methanesulfonamide?
The IUPAC name of (3-fluoro-4-methylphenyl)methanesulfonamide (CID 63648807) is (3-fluoro-4-methylphenyl)methanesulfonamide.
What is the SMILES notation for (3-fluoro-4-methylphenyl)methanesulfonamide?
The canonical SMILES for (3-fluoro-4-methylphenyl)methanesulfonamide is Cc1ccc(CS(N)(=O)=O)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)methanesulfonamide?
The InChIKey is BRGBJOARAPZJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-6-2-3-7(4-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12).
What are the key properties of (3-fluoro-4-methylphenyl)methanesulfonamide?
(3-fluoro-4-methylphenyl)methanesulfonamide has a molecular weight of 203.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 63648807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).