N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide

C13H16F2N2O3S — CID 63374918

IUPACN-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide
SMILESCCCN(C(=O)c1c(F)ccc(S(N)(=O)=O)c1F)C1CC1
InChIInChI=1S/C13H16F2N2O3S/c1-2-7-17(8-3-4-8)13(18)11-9(14)5-6-10(12(11)15)21(16,19)20/h5-6,8H,2-4,7H2,1H3,(H2,16,19,20)
InChIKeyCEIJOMNVZDOYIX-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.63
Rot. Bonds5

About N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide

N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide (PubChem CID 63374918) has the molecular formula C13H16F2N2O3S and a molecular weight of 318.34 g/mol. Its IUPAC name is N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide
PubChem CID63374918
Molecular FormulaC13H16F2N2O3S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC NameN-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide
SMILESCCCN(C(=O)c1c(F)ccc(S(N)(=O)=O)c1F)C1CC1
InChIInChI=1S/C13H16F2N2O3S/c1-2-7-17(8-3-4-8)13(18)11-9(14)5-6-10(12(11)15)21(16,19)20/h5-6,8H,2-4,7H2,1H3,(H2,16,19,20)
InChIKeyCEIJOMNVZDOYIX-UHFFFAOYSA-N
XLogP1.63
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 65386408
N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
CID 63374555
2,6-difluoro-N-(3-methoxypropyl)-N-methyl-3-sulfamoylbenzamide
CID 63374883
N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
CID 65388135
2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 63932441
N-butyl-N-cyclopropyl-5-methyl-2-sulfamoylbenzamide
CID 65455448
3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide
CID 107343147
3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 65386602
3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 81479678
ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
CID 82799836
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 81290681

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide?
The IUPAC name of N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide (CID 63374918) is N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide?
The canonical SMILES for N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide is CCCN(C(=O)c1c(F)ccc(S(N)(=O)=O)c1F)C1CC1.
What is the InChIKey of N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide?
The InChIKey is CEIJOMNVZDOYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3S/c1-2-7-17(8-3-4-8)13(18)11-9(14)5-6-10(12(11)15)21(16,19)20/h5-6,8H,2-4,7H2,1H3,(H2,16,19,20).
What are the key properties of N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide?
N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide has a molecular weight of 318.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide is sourced from PubChem (CID 63374918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).