N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide

C17H17ClFN3O4S — CID 55377130

IUPACN-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C17H17ClFN3O4S/c18-11-1-3-15(14(19)9-11)21-17(23)13-10-12(27(20,24)25)2-4-16(13)22-5-7-26-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)(H2,20,24,25)
InChIKeyOXYMWFVAZCDBLR-UHFFFAOYSA-N
MW413.86 g/mol
LogP2.22
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide

N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide (PubChem CID 55377130) has the molecular formula C17H17ClFN3O4S and a molecular weight of 413.86 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
PubChem CID55377130
Molecular FormulaC17H17ClFN3O4S
Molecular Weight413.86 g/mol
Exact Mass413.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C17H17ClFN3O4S/c18-11-1-3-15(14(19)9-11)21-17(23)13-10-12(27(20,24)25)2-4-16(13)22-5-7-26-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)(H2,20,24,25)
InChIKeyOXYMWFVAZCDBLR-UHFFFAOYSA-N
XLogP2.22
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 41452357
N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 27839021
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
N-(2,5-difluorophenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 31509173
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
N-(3-chloro-2-fluorophenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 43000218
N-(2,4-dichlorophenyl)-2-hydroxy-5-morpholin-4-ylsulfonylbenzamide
CID 43853480
N-(2,2-diphenylethyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 17415944
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
N-[2-(2,3-dichlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 55971836
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 118695192

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide (CID 55377130) is N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(Cl)cc2F)c1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide?
The InChIKey is OXYMWFVAZCDBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O4S/c18-11-1-3-15(14(19)9-11)21-17(23)13-10-12(27(20,24)25)2-4-16(13)22-5-7-26-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)(H2,20,24,25).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide?
N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide has a molecular weight of 413.86 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 55377130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).