N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide

C14H19FN2O3S — CID 65388304

IUPACN-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide
SMILESCCN(CC1CC1)C(=O)c1cc(C)c(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H19FN2O3S/c1-3-17(8-10-4-5-10)14(18)11-6-9(2)13(15)12(7-11)21(16,19)20/h6-7,10H,3-5,8H2,1-2H3,(H2,16,19,20)
InChIKeyHDZFEYOWZAAQKX-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.65
Rot. Bonds5

About N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide

N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide (PubChem CID 65388304) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide
PubChem CID65388304
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide
SMILESCCN(CC1CC1)C(=O)c1cc(C)c(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H19FN2O3S/c1-3-17(8-10-4-5-10)14(18)11-6-9(2)13(15)12(7-11)21(16,19)20/h6-7,10H,3-5,8H2,1-2H3,(H2,16,19,20)
InChIKeyHDZFEYOWZAAQKX-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide (CID 65388304) is N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide is CCN(CC1CC1)C(=O)c1cc(C)c(F)c(S(N)(=O)=O)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide?
The InChIKey is HDZFEYOWZAAQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-3-17(8-10-4-5-10)14(18)11-6-9(2)13(15)12(7-11)21(16,19)20/h6-7,10H,3-5,8H2,1-2H3,(H2,16,19,20).
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide?
N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide has a molecular weight of 314.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-4-fluoro-3-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65388304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).