N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide

C18H20N2O4S — CID 55623858

IUPACN-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccccc1NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H20N2O4S/c1-14-6-2-4-8-16(14)19-18(21)15-7-3-5-9-17(15)25(22,23)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3,(H,19,21)
InChIKeyUXMKEUCMARLNGR-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.27
Rot. Bonds4

About N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide

N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide (PubChem CID 55623858) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
PubChem CID55623858
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccccc1NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H20N2O4S/c1-14-6-2-4-8-16(14)19-18(21)15-7-3-5-9-17(15)25(22,23)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3,(H,19,21)
InChIKeyUXMKEUCMARLNGR-UHFFFAOYSA-N
XLogP2.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623393
N-(4-iodophenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39892592
2-fluoro-N-(2-morpholin-4-ylsulfonylphenyl)benzamide
CID 90451563
N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
methyl 4-[(2-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 39888374
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-(5-fluoro-2-pyridinyl)-2-morpholin-4-ylsulfonylbenzamide
CID 52871230
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5084540
N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 43072275
4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2940828

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide (CID 55623858) is N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide is Cc1ccccc1NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UXMKEUCMARLNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-14-6-2-4-8-16(14)19-18(21)15-7-3-5-9-17(15)25(22,23)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3,(H,19,21).
What are the key properties of N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide?
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55623858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).