N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

C20H23ClN2O4S — CID 46584228

IUPACN-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H23ClN2O4S/c1-3-15-5-6-16(20(24)22-18-7-4-14(2)12-17(18)21)13-19(15)28(25,26)23-8-10-27-11-9-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,24)
InChIKeySJCKYYQNVXAEDY-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.48
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 46584228) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID46584228
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H23ClN2O4S/c1-3-15-5-6-16(20(24)22-18-7-4-14(2)12-17(18)21)13-19(15)28(25,26)23-8-10-27-11-9-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,24)
InChIKeySJCKYYQNVXAEDY-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581514
4-ethyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058910
4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 30838011
N-(4-chloro-3-cyanophenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579596
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
4-ethyl-N-(6-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 46581324
N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30840402
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43058965
4-ethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30840501
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (CID 46584228) is N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)Nc2ccc(C)cc2Cl)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SJCKYYQNVXAEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-3-15-5-6-16(20(24)22-18-7-4-14(2)12-17(18)21)13-19(15)28(25,26)23-8-10-27-11-9-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 422.93 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46584228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).