N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide

C17H19FN2O3S — CID 4800184

IUPACN-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O3S/c1-3-20(4-2)24(22,23)16-10-6-9-15(12-16)19-17(21)13-7-5-8-14(18)11-13/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyXJMGLQIBJMAMSJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds6

About N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide

N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide (PubChem CID 4800184) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
PubChem CID4800184
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O3S/c1-3-20(4-2)24(22,23)16-10-6-9-15(12-16)19-17(21)13-7-5-8-14(18)11-13/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyXJMGLQIBJMAMSJ-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide
CID 7760043
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 7760022
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
3-(dipropylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26914144
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide (CID 4800184) is N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide?
The InChIKey is XJMGLQIBJMAMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-3-20(4-2)24(22,23)16-10-6-9-15(12-16)19-17(21)13-7-5-8-14(18)11-13/h5-12H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide?
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide has a molecular weight of 350.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 4800184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).