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

C15H15FN2O3S — CID 900640

IUPACN-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H15FN2O3S/c1-18(22(2,20)21)14-9-3-11(4-10-14)15(19)17-13-7-5-12(16)6-8-13/h3-10H,1-2H3,(H,17,19)
InChIKeyTWFSNDWFFCPOGR-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.47
Rot. Bonds4

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

N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 900640) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID900640
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC NameN-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O
InChIInChI=1S/C15H15FN2O3S/c1-18(22(2,20)21)14-9-3-11(4-10-14)15(19)17-13-7-5-12(16)6-8-13/h3-10H,1-2H3,(H,17,19)
InChIKeyTWFSNDWFFCPOGR-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 1210609
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126122035
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
N-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 977789
N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 4662443
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 13322356
4-[dimethylsulfamoyl(methyl)amino]-N-phenylbenzamide
CID 53283335
4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide
CID 126149953
4-[bis(2-chloroethyl)amino]-N-(4-fluorophenyl)benzamide
CID 46207010
4-[dimethylsulfamoyl(methyl)amino]-N-(4-propan-2-ylphenyl)benzamide
CID 53283134

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide (CID 900640) is N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is TWFSNDWFFCPOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-18(22(2,20)21)14-9-3-11(4-10-14)15(19)17-13-7-5-12(16)6-8-13/h3-10H,1-2H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide?
N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 322.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 900640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).