5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide

C21H19FN2O3S — CID 34494912

IUPAC5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C21H19FN2O3S/c1-15-8-13-19(28(26,27)23-17-11-9-16(22)10-12-17)14-20(15)21(25)24(2)18-6-4-3-5-7-18/h3-14,23H,1-2H3
InChIKeySEJPTCONSIFFGH-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.21
Rot. Bonds5

About 5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide

5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide (PubChem CID 34494912) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide
PubChem CID34494912
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C21H19FN2O3S/c1-15-8-13-19(28(26,27)23-17-11-9-16(22)10-12-17)14-20(15)21(25)24(2)18-6-4-3-5-7-18/h3-14,23H,1-2H3
InChIKeySEJPTCONSIFFGH-UHFFFAOYSA-N
XLogP4.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114
5-(tert-butylsulfamoyl)-N,2-dimethyl-N-phenylbenzamide
CID 34491151
5-[(4-fluorophenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)-2-methylbenzamide
CID 43010418
5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 38561904
N-(3-amino-3-oxopropyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 47089062
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050
3-[(3,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109065745
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 3819698
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide?
The IUPAC name of 5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide (CID 34494912) is 5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide?
The canonical SMILES for 5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N(C)c1ccccc1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide?
The InChIKey is SEJPTCONSIFFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-15-8-13-19(28(26,27)23-17-11-9-16(22)10-12-17)14-20(15)21(25)24(2)18-6-4-3-5-7-18/h3-14,23H,1-2H3.
What are the key properties of 5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide?
5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide has a molecular weight of 398.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide is sourced from PubChem (CID 34494912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).