N-(4-fluorophenyl)sulfonylbenzamide

C13H10FNO3S — CID 972840

IUPACN-(4-fluorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C13H10FNO3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)
InChIKeyGHRGMZSLIAQQEZ-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.94
Rot. Bonds3

About N-(4-fluorophenyl)sulfonylbenzamide

N-(4-fluorophenyl)sulfonylbenzamide (PubChem CID 972840) has the molecular formula C13H10FNO3S and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonylbenzamide
PubChem CID972840
Molecular FormulaC13H10FNO3S
Molecular Weight279.29 g/mol
Exact Mass279.04
IUPAC NameN-(4-fluorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C13H10FNO3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)
InChIKeyGHRGMZSLIAQQEZ-UHFFFAOYSA-N
XLogP1.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Saccharin
CID 5143
Sulfabenzamide
CID 5319
Benzamide, 2,2'-dithiobis-
CID 72552
N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
N-benzyl-4-sulfamoylbenzamide
CID 4347
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
4-(Aminosulfonyl)benzamide
CID 80563
4-(Aminosulfonyl)-N-[(2,4-Difluorophenyl)Methyl]-Benzamide
CID 446238

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonylbenzamide?
The IUPAC name of N-(4-fluorophenyl)sulfonylbenzamide (CID 972840) is N-(4-fluorophenyl)sulfonylbenzamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonylbenzamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)sulfonylbenzamide?
The InChIKey is GHRGMZSLIAQQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16).
What are the key properties of N-(4-fluorophenyl)sulfonylbenzamide?
N-(4-fluorophenyl)sulfonylbenzamide has a molecular weight of 279.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonylbenzamide is sourced from PubChem (CID 972840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).