N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

C19H17F2N3O4S — CID 56571984

IUPACN-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESN#CC(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1F
InChIInChI=1S/C19H17F2N3O4S/c20-16-4-2-1-3-14(16)18(12-22)23-19(25)15-11-13(5-6-17(15)21)29(26,27)24-7-9-28-10-8-24/h1-6,11,18H,7-10H2,(H,23,25)
InChIKeyWXXUOPDGEVZEPX-UHFFFAOYSA-N
MW421.43 g/mol
LogP1.98
Rot. Bonds5

About N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide

N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 56571984) has the molecular formula C19H17F2N3O4S and a molecular weight of 421.43 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID56571984
Molecular FormulaC19H17F2N3O4S
Molecular Weight421.43 g/mol
Exact Mass421.09
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESN#CC(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1F
InChIInChI=1S/C19H17F2N3O4S/c20-16-4-2-1-3-14(16)18(12-22)23-19(25)15-11-13(5-6-17(15)21)29(26,27)24-7-9-28-10-8-24/h1-6,11,18H,7-10H2,(H,23,25)
InChIKeyWXXUOPDGEVZEPX-UHFFFAOYSA-N
XLogP1.98
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyano-(2,4-difluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 56536851
2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990
2-fluoro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutan-2-yl)benzamide
CID 46522182
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 55337584
2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 46513241
N-[cyano-(2-fluorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 56572333
N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9295127
N-[2-(dimethylamino)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 39130389
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
N'-(3-chlorobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 2578698
2-fluoro-5-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 5143733
2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
CID 86948596

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 56571984) is N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is N#CC(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1F.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WXXUOPDGEVZEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4S/c20-16-4-2-1-3-14(16)18(12-22)23-19(25)15-11-13(5-6-17(15)21)29(26,27)24-7-9-28-10-8-24/h1-6,11,18H,7-10H2,(H,23,25).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 421.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 56571984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).