N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide

C13H17FN2O3S — CID 65388135

IUPACN-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C13H17FN2O3S/c1-2-5-16(11-3-4-11)13(17)9-6-10(14)8-12(7-9)20(15,18)19/h6-8,11H,2-5H2,1H3,(H2,15,18,19)
InChIKeyBUJCJASCTQPUAC-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.49
Rot. Bonds5

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

N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide (PubChem CID 65388135) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
PubChem CID65388135
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C13H17FN2O3S/c1-2-5-16(11-3-4-11)13(17)9-6-10(14)8-12(7-9)20(15,18)19/h6-8,11H,2-5H2,1H3,(H2,15,18,19)
InChIKeyBUJCJASCTQPUAC-UHFFFAOYSA-N
XLogP1.49
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65374096
N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65386408
N,N-diethyl-3-fluoro-5-sulfamoylbenzamide
CID 65375543
N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65375225
3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 65386602
3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 81479678
4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 81290681
N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387256
N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide
CID 63374918
N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide
CID 63187160
N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide
CID 63394666
N-(2-bromoethyl)-N-cyclopropyl-3,5-difluorobenzamide
CID 80677748

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide (CID 65388135) is N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide is CCCN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide?
The InChIKey is BUJCJASCTQPUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-2-5-16(11-3-4-11)13(17)9-6-10(14)8-12(7-9)20(15,18)19/h6-8,11H,2-5H2,1H3,(H2,15,18,19).
What are the key properties of N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide?
N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide has a molecular weight of 300.35 g/mol, XLogP of 1.49, 5 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-propyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65388135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).