N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide

C14H21FN2O3S — CID 79472536

IUPACN-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
SMILESCCC(C)CN(CC)C(=O)c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H21FN2O3S/c1-4-10(3)9-17(5-2)14(18)11-6-7-12(15)13(8-11)21(16,19)20/h6-8,10H,4-5,9H2,1-3H3,(H2,16,19,20)
InChIKeyJCFUXGRWDCFCDJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.98
Rot. Bonds6

About N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide

N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide (PubChem CID 79472536) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
PubChem CID79472536
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
SMILESCCC(C)CN(CC)C(=O)c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C14H21FN2O3S/c1-4-10(3)9-17(5-2)14(18)11-6-7-12(15)13(8-11)21(16,19)20/h6-8,10H,4-5,9H2,1-3H3,(H2,16,19,20)
InChIKeyJCFUXGRWDCFCDJ-UHFFFAOYSA-N
XLogP1.98
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-fluoro-N-(2-methylbutyl)-4-nitrobenzamide
CID 79482385
3-[ethyl(2-methylbutyl)sulfamoyl]-4-fluorobenzoic acid
CID 79482166
N,N-diethyl-4-propan-2-yloxy-3-sulfamoylbenzamide
CID 65376123
2,6-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 63932441
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-N-ethyl-4-fluorobenzamide
CID 107951184
N-ethyl-4-(ethylamino)-N-(2-methylbutyl)benzamide
CID 79470101
N-ethyl-4-hydrazinyl-N-(2-methylbutyl)benzamide
CID 79470275
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024
4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65388148
3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide
CID 79477369
4-bromo-2-fluoro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388350
3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55670053

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide?
The IUPAC name of N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide (CID 79472536) is N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide.
What is the SMILES notation for N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide?
The canonical SMILES for N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide is CCC(C)CN(CC)C(=O)c1ccc(F)c(S(N)(=O)=O)c1.
What is the InChIKey of N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide?
The InChIKey is JCFUXGRWDCFCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-4-10(3)9-17(5-2)14(18)11-6-7-12(15)13(8-11)21(16,19)20/h6-8,10H,4-5,9H2,1-3H3,(H2,16,19,20).
What are the key properties of N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide?
N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide has a molecular weight of 316.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 79472536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).