N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide

C17H19FN2O3S — CID 47946318

IUPACN,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O3S/c1-3-20(4-2)17(21)13-8-10-16(11-9-13)24(22,23)19-15-7-5-6-14(18)12-15/h5-12,19H,3-4H2,1-2H3
InChIKeyNBHCJPPKDKWTBV-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.11
Rot. Bonds6

About N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide

N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide (PubChem CID 47946318) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
PubChem CID47946318
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC NameN,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O3S/c1-3-20(4-2)17(21)13-8-10-16(11-9-13)24(22,23)19-15-7-5-6-14(18)12-15/h5-12,19H,3-4H2,1-2H3
InChIKeyNBHCJPPKDKWTBV-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-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061451
N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109060108
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27861535
N-ethyl-N-(2-hydroxyethyl)-4-(phenylsulfamoyl)benzamide
CID 78796066
S-[2-[4-[(3-fluorophenyl)sulfamoyl]phenyl]-2-oxoethyl] ethanethioate
CID 11689172
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 28715922
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 134040441
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47516560
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554
N-ethyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 55587739
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide (CID 47946318) is N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide is CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is NBHCJPPKDKWTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-3-20(4-2)17(21)13-8-10-16(11-9-13)24(22,23)19-15-7-5-6-14(18)12-15/h5-12,19H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide?
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide 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,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 47946318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).