2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide

C21H18F2N2O3S — CID 30489963

IUPAC2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)ccc3F)ccc2C)c1
InChIInChI=1S/C21H18F2N2O3S/c1-13-4-3-5-17(10-13)25-29(27,28)20-12-16(8-6-14(20)2)24-21(26)18-11-15(22)7-9-19(18)23/h3-12,25H,1-2H3,(H,24,26)
InChIKeyXYOLJNFKUSEQFU-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.63
Rot. Bonds5

About 2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide

2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 30489963) has the molecular formula C21H18F2N2O3S and a molecular weight of 416.45 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID30489963
Molecular FormulaC21H18F2N2O3S
Molecular Weight416.45 g/mol
Exact Mass416.10
IUPAC Name2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)ccc3F)ccc2C)c1
InChIInChI=1S/C21H18F2N2O3S/c1-13-4-3-5-17(10-13)25-29(27,28)20-12-16(8-6-14(20)2)24-21(26)18-11-15(22)7-9-19(18)23/h3-12,25H,1-2H3,(H,24,26)
InChIKeyXYOLJNFKUSEQFU-UHFFFAOYSA-N
XLogP4.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-difluorobenzamide
CID 43030214
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3249145
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,6-difluorobenzamide
CID 36772113
2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 42940924
(2R)-2-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 35678664
4-acetyl-3,5-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1H-pyrrole-2-carboxamide
CID 35865008
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634
(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 119679340
4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide
CID 25342400
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 39908102

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide (CID 30489963) is 2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide is Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3cc(F)ccc3F)ccc2C)c1.
What is the InChIKey of 2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is XYOLJNFKUSEQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3S/c1-13-4-3-5-17(10-13)25-29(27,28)20-12-16(8-6-14(20)2)24-21(26)18-11-15(22)7-9-19(18)23/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 416.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 30489963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).