2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide

C22H20FN3O4S — CID 34752536

IUPAC2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C22H20FN3O4S/c1-14-10-11-17(13-19(14)23)31(29,30)26-16-7-5-6-15(12-16)21(27)25-20-9-4-3-8-18(20)22(28)24-2/h3-13,26H,1-2H3,(H,24,28)(H,25,27)
InChIKeyKFLLVTATRWHLSD-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.55
Rot. Bonds6

About 2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide

2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide (PubChem CID 34752536) has the molecular formula C22H20FN3O4S and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
PubChem CID34752536
Molecular FormulaC22H20FN3O4S
Molecular Weight441.48 g/mol
Exact Mass441.12
IUPAC Name2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C22H20FN3O4S/c1-14-10-11-17(13-19(14)23)31(29,30)26-16-7-5-6-15(12-16)21(27)25-20-9-4-3-8-18(20)22(28)24-2/h3-13,26H,1-2H3,(H,24,28)(H,25,27)
InChIKeyKFLLVTATRWHLSD-UHFFFAOYSA-N
XLogP3.55
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 134050501
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide
CID 78794508
N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55980726
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835606
N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 112770785
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33033434
N-(1,3-benzothiazol-2-yl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 35993607
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide (CID 34752536) is 2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide?
The InChIKey is KFLLVTATRWHLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4S/c1-14-10-11-17(13-19(14)23)31(29,30)26-16-7-5-6-15(12-16)21(27)25-20-9-4-3-8-18(20)22(28)24-2/h3-13,26H,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide?
2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide has a molecular weight of 441.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 34752536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).