N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide

C17H19FN2O3S — CID 3643564

IUPACN-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O3S/c1-3-20(4-2)24(22,23)16-10-8-15(9-11-16)19-17(21)13-6-5-7-14(18)12-13/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyCUIWECWPKBIGAW-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds6

About N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide

N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide (PubChem CID 3643564) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
PubChem CID3643564
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O3S/c1-3-20(4-2)24(22,23)16-10-8-15(9-11-16)19-17(21)13-6-5-7-14(18)12-13/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyCUIWECWPKBIGAW-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-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[4-(diethylsulfamoyl)phenyl]-3-ethoxybenzamide
CID 4957423
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide (CID 3643564) is N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide?
The InChIKey is CUIWECWPKBIGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-3-20(4-2)24(22,23)16-10-8-15(9-11-16)19-17(21)13-6-5-7-14(18)12-13/h5-12H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide?
N-[4-(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-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide is sourced from PubChem (CID 3643564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).