N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide

C14H13FN2O3S — CID 9070427

IUPACN-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C14H13FN2O3S/c1-9-2-3-10(8-13(9)21(16,19)20)14(18)17-12-6-4-11(15)5-7-12/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyQBZRWFZGVPPEEY-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.03
Rot. Bonds3

About N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide

N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide (PubChem CID 9070427) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
PubChem CID9070427
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC NameN-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C14H13FN2O3S/c1-9-2-3-10(8-13(9)21(16,19)20)14(18)17-12-6-4-11(15)5-7-12/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyQBZRWFZGVPPEEY-UHFFFAOYSA-N
XLogP2.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[(4-methyl-3-sulfamoylbenzoyl)amino]thiourea
CID 9085389
N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide
CID 9089681
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
2-methyl-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 9089044
N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9090103
4-fluoro-N-[(2S)-3-methyl-1-(4-methyl-3-sulfamoylanilino)-1-oxobutan-2-yl]benzamide
CID 9256983
4-(cyclopropanecarbonylamino)-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 46809533
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930
N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 55979786
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide (CID 9070427) is N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide is Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide?
The InChIKey is QBZRWFZGVPPEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-9-2-3-10(8-13(9)21(16,19)20)14(18)17-12-6-4-11(15)5-7-12/h2-8H,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide?
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide has a molecular weight of 308.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 9070427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).