2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide

C15H14FNO3S — CID 80710690

IUPAC2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1F
InChIInChI=1S/C15H14FNO3S/c1-10-5-3-8-13(14(10)16)15(18)17-11-6-4-7-12(9-11)21(2,19)20/h3-9H,1-2H3,(H,17,18)
InChIKeyQJFBQSHDNKRBHM-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.79
Rot. Bonds3

About 2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide

2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide (PubChem CID 80710690) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
PubChem CID80710690
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1F
InChIInChI=1S/C15H14FNO3S/c1-10-5-3-8-13(14(10)16)15(18)17-11-6-4-7-12(9-11)21(2,19)20/h3-9H,1-2H3,(H,17,18)
InChIKeyQJFBQSHDNKRBHM-UHFFFAOYSA-N
XLogP2.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
2-fluoro-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]benzamide
CID 9071274
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide (CID 80710690) is 2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide is Cc1cccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide?
The InChIKey is QJFBQSHDNKRBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-10-5-3-8-13(14(10)16)15(18)17-11-6-4-7-12(9-11)21(2,19)20/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide?
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 80710690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).