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

C11H13FN2O3S — CID 65374096

IUPACN-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C11H13FN2O3S/c1-14(9-2-3-9)11(15)7-4-8(12)6-10(5-7)18(13,16)17/h4-6,9H,2-3H2,1H3,(H2,13,16,17)
InChIKeyBGZFBHRTLSLEJT-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.71
Rot. Bonds3

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

N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide (PubChem CID 65374096) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
PubChem CID65374096
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C11H13FN2O3S/c1-14(9-2-3-9)11(15)7-4-8(12)6-10(5-7)18(13,16)17/h4-6,9H,2-3H2,1H3,(H2,13,16,17)
InChIKeyBGZFBHRTLSLEJT-UHFFFAOYSA-N
XLogP0.71
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 65374087
N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
CID 65388135
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide
CID 65388124
N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65375225
N,N-diethyl-3-fluoro-5-sulfamoylbenzamide
CID 65375543
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
3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 113395910
3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide
CID 79186833
4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 81290579

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide (CID 65374096) is N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide is CN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
The InChIKey is BGZFBHRTLSLEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c1-14(9-2-3-9)11(15)7-4-8(12)6-10(5-7)18(13,16)17/h4-6,9H,2-3H2,1H3,(H2,13,16,17).
What are the key properties of N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide?
N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide has a molecular weight of 272.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65374096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).