3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide

C15H15FN2O2S — CID 141031619

IUPAC3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide
SMILESCc1cc(S(C)=O)ccc1Nc1c(F)cccc1C(N)=O
InChIInChI=1S/C15H15FN2O2S/c1-9-8-10(21(2)20)6-7-13(9)18-14-11(15(17)19)4-3-5-12(14)16/h3-8,18H,1-2H3,(H2,17,19)
InChIKeyUHKFDRBTXPVIIB-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.71
Rot. Bonds4

About 3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide

3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide (PubChem CID 141031619) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide
PubChem CID141031619
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide
SMILESCc1cc(S(C)=O)ccc1Nc1c(F)cccc1C(N)=O
InChIInChI=1S/C15H15FN2O2S/c1-9-8-10(21(2)20)6-7-13(9)18-14-11(15(17)19)4-3-5-12(14)16/h3-8,18H,1-2H3,(H2,17,19)
InChIKeyUHKFDRBTXPVIIB-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide
CID 150751451
3-fluoro-2-(4-iodoanilino)benzamide
CID 175969142
2-(2,5-dimethylanilino)-3-fluorobenzoic acid
CID 63538460
3-amino-2-(2,3-difluoroanilino)benzamide
CID 112578278
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351
2-(5-acetyl-2-chloroanilino)-3-fluorobenzoic acid
CID 110453077
2-(2,6-difluoroanilino)-4-methylbenzenecarbothioamide
CID 62309240
3-amino-2-(5-iodo-2-methylanilino)benzamide
CID 114257924
4-amino-2-(2-bromo-6-fluoroanilino)benzamide
CID 107596749
2-(4-chloro-2-methylanilino)pyridine-3-carboxamide
CID 901918

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide?
The IUPAC name of 3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide (CID 141031619) is 3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide.
What is the SMILES notation for 3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide?
The canonical SMILES for 3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide is Cc1cc(S(C)=O)ccc1Nc1c(F)cccc1C(N)=O.
What is the InChIKey of 3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide?
The InChIKey is UHKFDRBTXPVIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-9-8-10(21(2)20)6-7-13(9)18-14-11(15(17)19)4-3-5-12(14)16/h3-8,18H,1-2H3,(H2,17,19).
What are the key properties of 3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide?
3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide has a molecular weight of 306.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide is sourced from PubChem (CID 141031619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).