3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide

C17H16F2N2O4S — CID 8782088

IUPAC3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C17H16F2N2O4S/c1-2-20-15(22)12-4-3-5-13(10-12)21-16(23)11-6-8-14(9-7-11)26(24,25)17(18)19/h3-10,17H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyKDPHPNZPKMSOOC-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.68
Rot. Bonds6

About 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide

3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide (PubChem CID 8782088) has the molecular formula C17H16F2N2O4S and a molecular weight of 382.39 g/mol. Its IUPAC name is 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide
PubChem CID8782088
Molecular FormulaC17H16F2N2O4S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC Name3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C17H16F2N2O4S/c1-2-20-15(22)12-4-3-5-13(10-12)21-16(23)11-6-8-14(9-7-11)26(24,25)17(18)19/h3-10,17H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyKDPHPNZPKMSOOC-UHFFFAOYSA-N
XLogP2.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070782
4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 78829368
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
3-acetamido-N-ethylbenzamide
CID 17230670
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 167951994
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
N-ethyl-3-[[3-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 55406945
N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 9225118

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide (CID 8782088) is 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1.
What is the InChIKey of 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide?
The InChIKey is KDPHPNZPKMSOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4S/c1-2-20-15(22)12-4-3-5-13(10-12)21-16(23)11-6-8-14(9-7-11)26(24,25)17(18)19/h3-10,17H,2H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide?
3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide has a molecular weight of 382.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 8782088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).