5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide

C11H12ClFN2O3S — CID 65373518

IUPAC5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1F)C1CC1
InChIInChI=1S/C11H12ClFN2O3S/c1-15(7-2-3-7)11(16)8-4-6(12)5-9(10(8)13)19(14,17)18/h4-5,7H,2-3H2,1H3,(H2,14,17,18)
InChIKeyAQJIWECPMNMLPN-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.36
Rot. Bonds3

About 5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide

5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide (PubChem CID 65373518) has the molecular formula C11H12ClFN2O3S and a molecular weight of 306.75 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide
PubChem CID65373518
Molecular FormulaC11H12ClFN2O3S
Molecular Weight306.75 g/mol
Exact Mass306.02
IUPAC Name5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1F)C1CC1
InChIInChI=1S/C11H12ClFN2O3S/c1-15(7-2-3-7)11(16)8-4-6(12)5-9(10(8)13)19(14,17)18/h4-5,7H,2-3H2,1H3,(H2,14,17,18)
InChIKeyAQJIWECPMNMLPN-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

N-cyclopropyl-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373323
4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373711
2,5-dichloro-N-methyl-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 82748225
5-chloro-3-(3,4-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzenesulfonamide
CID 79179811
2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide
CID 63930591
2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 81454116
5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide
CID 65388548
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
propan-2-yl 5-chloro-2-fluoro-3-sulfamoylbenzoate
CID 65380009
4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 81290579
5-chloro-N-cyclopropyl-2-hydrazinyl-N-methylbenzamide
CID 62243364
2-amino-3,5-dichloro-N-cyclohexyl-N-methylbenzamide
CID 69376073

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide?
The IUPAC name of 5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide (CID 65373518) is 5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide is CN(C(=O)c1cc(Cl)cc(S(N)(=O)=O)c1F)C1CC1.
What is the InChIKey of 5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide?
The InChIKey is AQJIWECPMNMLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O3S/c1-15(7-2-3-7)11(16)8-4-6(12)5-9(10(8)13)19(14,17)18/h4-5,7H,2-3H2,1H3,(H2,14,17,18).
What are the key properties of 5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide?
5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-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 5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65373518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).