4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide

C11H12ClFN2O3S — CID 65373711

IUPAC4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F)C1CC1
InChIInChI=1S/C11H12ClFN2O3S/c1-15(6-2-3-6)11(16)7-4-10(19(14,17)18)8(12)5-9(7)13/h4-6H,2-3H2,1H3,(H2,14,17,18)
InChIKeyOWRSXLQNCBAQPO-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.36
Rot. Bonds3

About 4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide

4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide (PubChem CID 65373711) has the molecular formula C11H12ClFN2O3S and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide
PubChem CID65373711
Molecular FormulaC11H12ClFN2O3S
Molecular Weight306.75 g/mol
Exact Mass306.02
IUPAC Name4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F)C1CC1
InChIInChI=1S/C11H12ClFN2O3S/c1-15(6-2-3-6)11(16)7-4-10(19(14,17)18)8(12)5-9(7)13/h4-6H,2-3H2,1H3,(H2,14,17,18)
InChIKeyOWRSXLQNCBAQPO-UHFFFAOYSA-N
XLogP1.36
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65373518
2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 81454116
N-cyclopropyl-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373323
2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide
CID 63930591
5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide
CID 61093784
4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 81290579
2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371090
2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372566
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
5-amino-N-cyclopentyl-2,4-difluoro-N-methylbenzamide
CID 61093983
2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide
CID 154759790

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide (CID 65373711) is 4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide is CN(C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1F)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide?
The InChIKey is OWRSXLQNCBAQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O3S/c1-15(6-2-3-6)11(16)7-4-10(19(14,17)18)8(12)5-9(7)13/h4-6H,2-3H2,1H3,(H2,14,17,18).
What are the key properties of 4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide?
4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide has a molecular weight of 306.75 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65373711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).