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

C11H12ClFN2O3S — CID 81454116

IUPAC2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl)C1CC1
InChIInChI=1S/C11H12ClFN2O3S/c1-15(6-2-3-6)11(16)8-4-7(19(14,17)18)5-9(13)10(8)12/h4-6H,2-3H2,1H3,(H2,14,17,18)
InChIKeyHUZJVKNVFQDQKM-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.36
Rot. Bonds3

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

2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide (PubChem CID 81454116) has the molecular formula C11H12ClFN2O3S and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
PubChem CID81454116
Molecular FormulaC11H12ClFN2O3S
Molecular Weight306.75 g/mol
Exact Mass306.02
IUPAC Name2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl)C1CC1
InChIInChI=1S/C11H12ClFN2O3S/c1-15(6-2-3-6)11(16)8-4-7(19(14,17)18)5-9(13)10(8)12/h4-6H,2-3H2,1H3,(H2,14,17,18)
InChIKeyHUZJVKNVFQDQKM-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide (CID 81454116) is 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide is CN(C(=O)c1cc(S(N)(=O)=O)cc(F)c1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The InChIKey is HUZJVKNVFQDQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O3S/c1-15(6-2-3-6)11(16)8-4-7(19(14,17)18)5-9(13)10(8)12/h4-6H,2-3H2,1H3,(H2,14,17,18).
What are the key properties of 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
2-chloro-N-cyclopropyl-3-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 2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81454116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).