N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide

C15H14ClFN2O3S — CID 1298165

IUPACN-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccccc1C(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H14ClFN2O3S/c1-19(23(2,21)22)14-6-4-3-5-11(14)15(20)18-10-7-8-13(17)12(16)9-10/h3-9H,1-2H3,(H,18,20)
InChIKeyAWTMMTZSUIFJKF-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.13
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide

N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 1298165) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID1298165
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccccc1C(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H14ClFN2O3S/c1-19(23(2,21)22)14-6-4-3-5-11(14)15(20)18-10-7-8-13(17)12(16)9-10/h3-9H,1-2H3,(H,18,20)
InChIKeyAWTMMTZSUIFJKF-UHFFFAOYSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide (CID 1298165) is N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccccc1C(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is AWTMMTZSUIFJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c1-19(23(2,21)22)14-6-4-3-5-11(14)15(20)18-10-7-8-13(17)12(16)9-10/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide?
N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 356.81 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 1298165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).