N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide

C14H19FN2O3S — CID 65386408

IUPACN-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(F)c(C)c(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C14H19FN2O3S/c1-3-6-17(11-4-5-11)14(18)10-7-12(15)9(2)13(8-10)21(16,19)20/h7-8,11H,3-6H2,1-2H3,(H2,16,19,20)
InChIKeyHMJZSBMCTBOJNC-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.80
Rot. Bonds5

About N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide

N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide (PubChem CID 65386408) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide
PubChem CID65386408
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide
SMILESCCCN(C(=O)c1cc(F)c(C)c(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C14H19FN2O3S/c1-3-6-17(11-4-5-11)14(18)10-7-12(15)9(2)13(8-10)21(16,19)20/h7-8,11H,3-6H2,1-2H3,(H2,16,19,20)
InChIKeyHMJZSBMCTBOJNC-UHFFFAOYSA-N
XLogP1.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-cyclopropyl-4-methyl-N-propyl-5-sulfamoylbenzamide
CID 81479678
3,4-dichloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 65386602
N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
CID 65388135
4-bromo-3-chloro-N-cyclopropyl-N-propyl-5-sulfamoylbenzamide
CID 81290681
N-cyclopropyl-3,5-difluoro-4-(methylamino)-N-propylbenzamide
CID 63187160
N-cyclopropyl-2,6-difluoro-N-propyl-3-sulfamoylbenzamide
CID 63374918
N-butyl-N-cyclopropyl-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612426
3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181
3-fluoro-2-methyl-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65372237
cyclohexyl 3-fluoro-4-methyl-5-sulfamoylbenzoate
CID 65381640
3-fluoro-2-methyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388971
2-chloro-5-[cyclopropyl(propyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371090

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide (CID 65386408) is N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide is CCCN(C(=O)c1cc(F)c(C)c(S(N)(=O)=O)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide?
The InChIKey is HMJZSBMCTBOJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-3-6-17(11-4-5-11)14(18)10-7-12(15)9(2)13(8-10)21(16,19)20/h7-8,11H,3-6H2,1-2H3,(H2,16,19,20).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide?
N-cyclopropyl-3-fluoro-4-methyl-N-propyl-5-sulfamoylbenzamide has a molecular weight of 314.38 g/mol, XLogP of 1.80, 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-4-methyl-N-propyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65386408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).