N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide

C14H17FN2O3S — CID 65387647

IUPACN-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(F)cc(C(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C14H17FN2O3S/c15-11-5-10(6-12(7-11)21(16,19)20)14(18)17-13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2,(H,17,18)(H2,16,19,20)
InChIKeyDKWKZPWERDPPIM-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.39
Rot. Bonds5

About N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide

N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide (PubChem CID 65387647) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
PubChem CID65387647
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC NameN-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(F)cc(C(=O)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C14H17FN2O3S/c15-11-5-10(6-12(7-11)21(16,19)20)14(18)17-13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2,(H,17,18)(H2,16,19,20)
InChIKeyDKWKZPWERDPPIM-UHFFFAOYSA-N
XLogP1.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylcyclopentyl)-3-fluoro-5-sulfamoylbenzamide
CID 115880821
N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide
CID 103743834
3-fluoro-N-(3-methoxycyclopentyl)-5-sulfamoylbenzamide
CID 103082469
3-fluoro-N-(3-methoxycyclobutyl)-5-sulfamoylbenzamide
CID 104600932
2,6-dichloro-N-(dicyclopropylmethyl)pyridine-4-carboxamide
CID 47020007
N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65374096
4-bromo-N-(dicyclopropylmethyl)-3-fluorobenzamide
CID 47421971
3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide
CID 79186833
N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
CID 65388135
N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18146405

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide?
The IUPAC name of N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide (CID 65387647) is N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(F)cc(C(=O)NC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide?
The InChIKey is DKWKZPWERDPPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c15-11-5-10(6-12(7-11)21(16,19)20)14(18)17-13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2,(H,17,18)(H2,16,19,20).
What are the key properties of N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide?
N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide has a molecular weight of 312.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 65387647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).