N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide

C17H20FN3O3S — CID 109060108

IUPACN-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H20FN3O3S/c1-21(2)11-10-19-17(22)13-6-8-16(9-7-13)25(23,24)20-15-5-3-4-14(18)12-15/h3-9,12,20H,10-11H2,1-2H3,(H,19,22)
InChIKeyUGTVOZRTBAHXPN-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.92
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide

N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide (PubChem CID 109060108) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide
PubChem CID109060108
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide
SMILESCN(C)CCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H20FN3O3S/c1-21(2)11-10-19-17(22)13-6-8-16(9-7-13)25(23,24)20-15-5-3-4-14(18)12-15/h3-9,12,20H,10-11H2,1-2H3,(H,19,22)
InChIKeyUGTVOZRTBAHXPN-UHFFFAOYSA-N
XLogP1.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 109060264
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061451
N-[2-[di(propan-2-yl)amino]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 27231354
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 4793513
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065341
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
S-[2-[4-[(3-fluorophenyl)sulfamoyl]phenyl]-2-oxoethyl] ethanethioate
CID 11689172

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide (CID 109060108) is N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide is CN(C)CCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is UGTVOZRTBAHXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-21(2)11-10-19-17(22)13-6-8-16(9-7-13)25(23,24)20-15-5-3-4-14(18)12-15/h3-9,12,20H,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109060108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).