4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide

C16H16F2N2O3S — CID 109057942

IUPAC4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O3S/c1-2-9-19-16(21)11-3-6-13(7-4-11)24(22,23)20-15-8-5-12(17)10-14(15)18/h3-8,10,20H,2,9H2,1H3,(H,19,21)
InChIKeyRCMKVEIKWGFZQR-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.91
Rot. Bonds6

About 4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide

4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide (PubChem CID 109057942) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide
PubChem CID109057942
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O3S/c1-2-9-19-16(21)11-3-6-13(7-4-11)24(22,23)20-15-8-5-12(17)10-14(15)18/h3-8,10,20H,2,9H2,1H3,(H,19,21)
InChIKeyRCMKVEIKWGFZQR-UHFFFAOYSA-N
XLogP2.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-difluorophenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058529
4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide
CID 2730339
N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618454
3-fluoro-N-[2-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]ethyl]-4-methylbenzamide
CID 24666950
N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3314659
2,5-difluoro-4-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylamino]benzoic acid
CID 130296884
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
CID 32646922
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31579011
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-propylbenzamide
CID 46333732
4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide?
The IUPAC name of 4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide (CID 109057942) is 4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide.
What is the SMILES notation for 4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide?
The canonical SMILES for 4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide is CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide?
The InChIKey is RCMKVEIKWGFZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-2-9-19-16(21)11-3-6-13(7-4-11)24(22,23)20-15-8-5-12(17)10-14(15)18/h3-8,10,20H,2,9H2,1H3,(H,19,21).
What are the key properties of 4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide?
4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide has a molecular weight of 354.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)sulfamoyl]-N-propylbenzamide is sourced from PubChem (CID 109057942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).