4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide

C20H23ClN2O4S — CID 7899792

IUPAC4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C20H23ClN2O4S/c1-13-10-14(2)19(15(3)11-13)22-20(24)16-4-5-17(21)18(12-16)28(25,26)23-6-8-27-9-7-23/h4-5,10-12H,6-9H2,1-3H3,(H,22,24)
InChIKeyFNHXGNHXCPHPAU-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.54
Rot. Bonds4

About 4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide

4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 7899792) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID7899792
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1
InChIInChI=1S/C20H23ClN2O4S/c1-13-10-14(2)19(15(3)11-13)22-20(24)16-4-5-17(21)18(12-16)28(25,26)23-6-8-27-9-7-23/h4-5,10-12H,6-9H2,1-3H3,(H,22,24)
InChIKeyFNHXGNHXCPHPAU-UHFFFAOYSA-N
XLogP3.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-chloro-4,6-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3972572
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 39087927
4-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 8919530
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 26073381
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
4-fluoro-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55335989
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 126336444
4-chloro-N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2710139
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide (CID 7899792) is 4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1.
What is the InChIKey of 4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is FNHXGNHXCPHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-13-10-14(2)19(15(3)11-13)22-20(24)16-4-5-17(21)18(12-16)28(25,26)23-6-8-27-9-7-23/h4-5,10-12H,6-9H2,1-3H3,(H,22,24).
What are the key properties of 4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide?
4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 422.93 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 7899792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).