2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide

C18H24Cl2N2O4S — CID 2336712

IUPAC2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C18H24Cl2N2O4S/c1-21(13-5-3-2-4-6-13)18(23)14-11-17(16(20)12-15(14)19)27(24,25)22-7-9-26-10-8-22/h11-13H,2-10H2,1H3
InChIKeyXGVHNQSFWKNUIV-UHFFFAOYSA-N
MW435.37 g/mol
LogP3.42
Rot. Bonds4

About 2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide

2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2336712) has the molecular formula C18H24Cl2N2O4S and a molecular weight of 435.37 g/mol. Its IUPAC name is 2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2336712
Molecular FormulaC18H24Cl2N2O4S
Molecular Weight435.37 g/mol
Exact Mass434.08
IUPAC Name2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C1CCCCC1
InChIInChI=1S/C18H24Cl2N2O4S/c1-21(13-5-3-2-4-6-13)18(23)14-11-17(16(20)12-15(14)19)27(24,25)22-7-9-26-10-8-22/h11-13H,2-10H2,1H3
InChIKeyXGVHNQSFWKNUIV-UHFFFAOYSA-N
XLogP3.42
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 2336712) is 2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide is CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C1CCCCC1.
What is the InChIKey of 2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XGVHNQSFWKNUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O4S/c1-21(13-5-3-2-4-6-13)18(23)14-11-17(16(20)12-15(14)19)27(24,25)22-7-9-26-10-8-22/h11-13H,2-10H2,1H3.
What are the key properties of 2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 435.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2336712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).