5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide

C16H25FN2O3S — CID 3238277

IUPAC5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCC(C)C)c1
InChIInChI=1S/C16H25FN2O3S/c1-5-19(6-2)23(21,22)13-7-8-15(17)14(11-13)16(20)18-10-9-12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyOTLFTLLKAZORPE-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.63
Rot. Bonds8

About 5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide

5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide (PubChem CID 3238277) has the molecular formula C16H25FN2O3S and a molecular weight of 344.45 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide
PubChem CID3238277
Molecular FormulaC16H25FN2O3S
Molecular Weight344.45 g/mol
Exact Mass344.16
IUPAC Name5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCC(C)C)c1
InChIInChI=1S/C16H25FN2O3S/c1-5-19(6-2)23(21,22)13-7-8-15(17)14(11-13)16(20)18-10-9-12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyOTLFTLLKAZORPE-UHFFFAOYSA-N
XLogP2.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide (CID 3238277) is 5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCC(C)C)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide?
The InChIKey is OTLFTLLKAZORPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3S/c1-5-19(6-2)23(21,22)13-7-8-15(17)14(11-13)16(20)18-10-9-12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,18,20).
What are the key properties of 5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide?
5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide has a molecular weight of 344.45 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-fluoro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 3238277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).