5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide

C11H15FN2O3S — CID 60876962

IUPAC5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide
SMILESCCCN(C)C(=O)c1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C11H15FN2O3S/c1-3-6-14(2)11(15)9-7-8(12)4-5-10(9)18(13,16)17/h4-5,7H,3,6H2,1-2H3,(H2,13,16,17)
InChIKeyORKBIRWZUQQFLN-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.96
Rot. Bonds4

About 5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide

5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide (PubChem CID 60876962) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide
PubChem CID60876962
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide
SMILESCCCN(C)C(=O)c1cc(F)ccc1S(N)(=O)=O
InChIInChI=1S/C11H15FN2O3S/c1-3-6-14(2)11(15)9-7-8(12)4-5-10(9)18(13,16)17/h4-5,7H,3,6H2,1-2H3,(H2,13,16,17)
InChIKeyORKBIRWZUQQFLN-UHFFFAOYSA-N
XLogP0.96
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 60875056
2,5-dichloro-N-methyl-N-propyl-3-sulfamoylbenzamide
CID 65388331
2,5-difluoro-N-methyl-N-pentyl-3-sulfamoylbenzamide
CID 65387387
5-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-2-sulfamoylbenzamide
CID 82939321
lithium;butyl 5-fluoro-2-sulfamoylbenzoate;hydride
CID 174172441
N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide
CID 62686241
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide
CID 65386412
2,5-difluoro-N-methyl-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 65388013
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373674
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide?
The IUPAC name of 5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide (CID 60876962) is 5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide.
What is the SMILES notation for 5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide?
The canonical SMILES for 5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide is CCCN(C)C(=O)c1cc(F)ccc1S(N)(=O)=O.
What is the InChIKey of 5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide?
The InChIKey is ORKBIRWZUQQFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-3-6-14(2)11(15)9-7-8(12)4-5-10(9)18(13,16)17/h4-5,7H,3,6H2,1-2H3,(H2,13,16,17).
What are the key properties of 5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide?
5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide has a molecular weight of 274.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide is sourced from PubChem (CID 60876962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).