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

C19H22N2O6S2 — CID 55613517

IUPACN-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O6S2/c1-2-28(23,24)18-6-4-3-5-17(18)20-19(22)15-7-9-16(10-8-15)29(25,26)21-11-13-27-14-12-21/h3-10H,2,11-14H2,1H3,(H,20,22)
InChIKeyBISAVANRKDDMMX-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.75
Rot. Bonds6

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

N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 55613517) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID55613517
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC NameN-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O6S2/c1-2-28(23,24)18-6-4-3-5-17(18)20-19(22)15-7-9-16(10-8-15)29(25,26)21-11-13-27-14-12-21/h3-10H,2,11-14H2,1H3,(H,20,22)
InChIKeyBISAVANRKDDMMX-UHFFFAOYSA-N
XLogP1.75
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673
N-tert-butyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 100679235
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
N-[(2R)-butan-2-yl]-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706280
4-morpholin-4-ylsulfonyl-N-(2-propan-2-ylphenyl)benzamide
CID 7958233
N-[2-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 36860042
N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55612909
4-morpholin-4-ylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16609512
3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 55635484
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123616

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide (CID 55613517) is N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide is CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BISAVANRKDDMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-2-28(23,24)18-6-4-3-5-17(18)20-19(22)15-7-9-16(10-8-15)29(25,26)21-11-13-27-14-12-21/h3-10H,2,11-14H2,1H3,(H,20,22).
What are the key properties of N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 438.53 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55613517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).