N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

C18H19FN2O4S — CID 3653486

IUPACN-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19FN2O4S/c1-13-5-6-15(19)12-17(13)20-18(22)14-3-2-4-16(11-14)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyPENJYTBNEIOZKP-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.41
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide

N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 3653486) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID3653486
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H19FN2O4S/c1-13-5-6-15(19)12-17(13)20-18(22)14-3-2-4-16(11-14)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22)
InChIKeyPENJYTBNEIOZKP-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 110425345
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-(4-fluoro-2-methylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzamide
CID 26239928
3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-(2-methylphenyl)benzamide
CID 42991837
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
N-(4-fluoro-3-methylphenyl)-3-(1,4-oxazepan-4-ylsulfonyl)benzamide
CID 123184223
N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061106
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
N-[1-(2,4-difluorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 84834881
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 3653486) is N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(F)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PENJYTBNEIOZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-13-5-6-15(19)12-17(13)20-18(22)14-3-2-4-16(11-14)26(23,24)21-7-9-25-10-8-21/h2-6,11-12H,7-10H2,1H3,(H,20,22).
What are the key properties of N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3653486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).