N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide

C21H19FN2O5S — CID 94788763

IUPACN-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H19FN2O5S/c1-28-17-10-11-20(29-2)19(13-17)23-21(25)14-4-3-5-18(12-14)30(26,27)24-16-8-6-15(22)7-9-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyUWMPNORNEPTSJO-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.90
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide

N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 94788763) has the molecular formula C21H19FN2O5S and a molecular weight of 430.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID94788763
Molecular FormulaC21H19FN2O5S
Molecular Weight430.46 g/mol
Exact Mass430.10
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H19FN2O5S/c1-28-17-10-11-20(29-2)19(13-17)23-21(25)14-4-3-5-18(12-14)30(26,27)24-16-8-6-15(22)7-9-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyUWMPNORNEPTSJO-UHFFFAOYSA-N
XLogP3.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 95254693
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513297
3-(cyclopropylsulfamoyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 18189816
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657262
4-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 26709820
N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
3-[(4-fluorophenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853826
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide (CID 94788763) is N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide is COc1ccc(OC)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is UWMPNORNEPTSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O5S/c1-28-17-10-11-20(29-2)19(13-17)23-21(25)14-4-3-5-18(12-14)30(26,27)24-16-8-6-15(22)7-9-16/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide?
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 430.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 94788763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).