N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide

C17H17F2N3O4S — CID 41452357

IUPACN-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H17F2N3O4S/c18-14-3-1-11(9-15(14)19)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)
InChIKeyQZJCIURZFYDDLC-UHFFFAOYSA-N
MW397.40 g/mol
LogP1.70
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide

N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide (PubChem CID 41452357) has the molecular formula C17H17F2N3O4S and a molecular weight of 397.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
PubChem CID41452357
Molecular FormulaC17H17F2N3O4S
Molecular Weight397.40 g/mol
Exact Mass397.09
IUPAC NameN-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H17F2N3O4S/c18-14-3-1-11(9-15(14)19)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)
InChIKeyQZJCIURZFYDDLC-UHFFFAOYSA-N
XLogP1.70
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 55377130
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 9210247
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 118695192
N-(9-ethylcarbazol-3-yl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 35623772
N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 2640923
N-(3,4-dimethylphenyl)-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 8743757
N-(2,2-diphenylethyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 17415944
N-(4-methylsulfanylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 42369200
N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 4815665
N-[2-(3-chlorophenyl)ethyl]-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 27839021
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
CID 36704856
2-morpholin-4-yl-5-nitro-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 23096049

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide (CID 41452357) is N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide?
The InChIKey is QZJCIURZFYDDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O4S/c18-14-3-1-11(9-15(14)19)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-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide?
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide has a molecular weight of 397.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 41452357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).