4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide

C24H26Cl2N2O5S — CID 25378663

IUPAC4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C24H26Cl2N2O5S/c1-27(24(11-5-4-8-22(24)29)18-6-2-3-7-19(18)25)23(30)17-9-10-20(26)21(16-17)34(31,32)28-12-14-33-15-13-28/h2-3,6-7,9-10,16H,4-5,8,11-15H2,1H3/t24-/m1/s1
InChIKeyMBAXNTDXLYVHKN-XMMPIXPASA-N
MW525.45 g/mol
LogP4.12
Rot. Bonds5

About 4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 25378663) has the molecular formula C24H26Cl2N2O5S and a molecular weight of 525.45 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID25378663
Molecular FormulaC24H26Cl2N2O5S
Molecular Weight525.45 g/mol
Exact Mass524.09
IUPAC Name4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C24H26Cl2N2O5S/c1-27(24(11-5-4-8-22(24)29)18-6-2-3-7-19(18)25)23(30)17-9-10-20(26)21(16-17)34(31,32)28-12-14-33-15-13-28/h2-3,6-7,9-10,16H,4-5,8,11-15H2,1H3/t24-/m1/s1
InChIKeyMBAXNTDXLYVHKN-XMMPIXPASA-N
XLogP4.12
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4192053
4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide
CID 2354551
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
4-chloro-N-methyl-3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 43021977
propan-2-yl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 170263505
4-chloro-N-[1-(ethylcarbamoyl)cyclohexyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55768184
N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 52539969
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 75854481
N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 60592193
4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 134057878

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 25378663) is 4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide is CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)[C@@]1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of 4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MBAXNTDXLYVHKN-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26Cl2N2O5S/c1-27(24(11-5-4-8-22(24)29)18-6-2-3-7-19(18)25)23(30)17-9-10-20(26)21(16-17)34(31,32)28-12-14-33-15-13-28/h2-3,6-7,9-10,16H,4-5,8,11-15H2,1H3/t24-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 525.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 25378663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).