3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide

C14H13FN2O3S — CID 4155198

IUPAC3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C14H13FN2O3S/c1-9-5-6-12(21(16,19)20)8-13(9)17-14(18)10-3-2-4-11(15)7-10/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyOGRMFXOQTDEJCG-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.03
Rot. Bonds3

About 3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide

3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide (PubChem CID 4155198) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide
PubChem CID4155198
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C14H13FN2O3S/c1-9-5-6-12(21(16,19)20)8-13(9)17-14(18)10-3-2-4-11(15)7-10/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyOGRMFXOQTDEJCG-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

3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 43710895
3-chloro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 5211673
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
2-hydroxy-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 61129726
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
CID 104757128
N-(2-fluoro-5-sulfamoylphenyl)-3-hydroxybenzamide
CID 61129797
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
N-(2,4-difluoro-3-methylphenyl)-3-sulfamoylbenzamide
CID 153066549
3-(carbamoylamino)-N-(5-fluoro-2-methylphenyl)benzamide
CID 9097762
5-fluoro-N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 104786047
4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide
CID 4547924
N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 23768618

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide?
The IUPAC name of 3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide (CID 4155198) is 3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide?
The InChIKey is OGRMFXOQTDEJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-9-5-6-12(21(16,19)20)8-13(9)17-14(18)10-3-2-4-11(15)7-10/h2-8H,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide?
3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide 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 3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide is sourced from PubChem (CID 4155198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).