N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C18H19FN2O4S — CID 2710293

IUPACN-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H19FN2O4S/c1-13-6-7-14(18(22)20-16-5-3-2-4-15(16)19)12-17(13)26(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyIBPRNAYBXKBFDH-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.41
Rot. Bonds4

About N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2710293) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2710293
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H19FN2O4S/c1-13-6-7-14(18(22)20-16-5-3-2-4-15(16)19)12-17(13)26(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyIBPRNAYBXKBFDH-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-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2711558
N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55670048
N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5161786
4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2940828
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5084540
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 7929134
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2302190

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 2710293) is N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is IBPRNAYBXKBFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-13-6-7-14(18(22)20-16-5-3-2-4-15(16)19)12-17(13)26(23,24)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-(2-fluorophenyl)-4-methyl-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-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2710293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).