2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide

C15H13ClF2N2O3S — CID 113093094

IUPAC2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCN(c1ccc(F)cc1NC(=O)c1c(F)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H13ClF2N2O3S/c1-20(24(2,22)23)13-7-6-9(17)8-12(13)19-15(21)14-10(16)4-3-5-11(14)18/h3-8H,1-2H3,(H,19,21)
InChIKeyQUISATVBSZHJSM-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.27
Rot. Bonds4

About 2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide

2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 113093094) has the molecular formula C15H13ClF2N2O3S and a molecular weight of 374.80 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID113093094
Molecular FormulaC15H13ClF2N2O3S
Molecular Weight374.80 g/mol
Exact Mass374.03
IUPAC Name2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCN(c1ccc(F)cc1NC(=O)c1c(F)cccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H13ClF2N2O3S/c1-20(24(2,22)23)13-7-6-9(17)8-12(13)19-15(21)14-10(16)4-3-5-11(14)18/h3-8H,1-2H3,(H,19,21)
InChIKeyQUISATVBSZHJSM-UHFFFAOYSA-N
XLogP3.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-3-propan-2-ylurea
CID 113093112
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2-chloro-6-fluorobenzamide
CID 39184030
2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]oxane-4-carboxamide
CID 113093111
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenyl)acetamide
CID 113093104
2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
CID 2811607
2-chloro-6-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 47099671
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
CID 122143687
N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001427
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 113093094) is 2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide is CN(c1ccc(F)cc1NC(=O)c1c(F)cccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is QUISATVBSZHJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O3S/c1-20(24(2,22)23)13-7-6-9(17)8-12(13)19-15(21)14-10(16)4-3-5-11(14)18/h3-8H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide?
2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 374.80 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[5-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 113093094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).