N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide

C17H16F2N2O4S — CID 17016205

IUPACN-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H16F2N2O4S/c18-13-9-14(19)11-15(10-13)20-17(22)12-2-1-3-16(8-12)26(23,24)21-4-6-25-7-5-21/h1-3,8-11H,4-7H2,(H,20,22)
InChIKeyWDHSSFCPYSWEEV-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.24
Rot. Bonds4

About N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide

N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 17016205) has the molecular formula C17H16F2N2O4S and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID17016205
Molecular FormulaC17H16F2N2O4S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC NameN-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H16F2N2O4S/c18-13-9-14(19)11-15(10-13)20-17(22)12-2-1-3-16(8-12)26(23,24)21-4-6-25-7-5-21/h1-3,8-11H,4-7H2,(H,20,22)
InChIKeyWDHSSFCPYSWEEV-UHFFFAOYSA-N
XLogP2.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
N-(4-fluoro-3-methylphenyl)-3-(1,4-oxazepan-4-ylsulfonyl)benzamide
CID 123184223
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2713360
diethyl 5-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26874310
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
N-[4-(diethylamino)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2665791
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 17016205) is N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cc(F)cc(F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WDHSSFCPYSWEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4S/c18-13-9-14(19)11-15(10-13)20-17(22)12-2-1-3-16(8-12)26(23,24)21-4-6-25-7-5-21/h1-3,8-11H,4-7H2,(H,20,22).
What are the key properties of N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 382.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 17016205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).