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

C19H26Cl2N2O4S — CID 55468764

IUPAC2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C1CCCCCC1
InChIInChI=1S/C19H26Cl2N2O4S/c1-22(14-6-4-2-3-5-7-14)19(24)15-12-18(17(21)13-16(15)20)28(25,26)23-8-10-27-11-9-23/h12-14H,2-11H2,1H3
InChIKeyHXJLTMMEPLWMRO-UHFFFAOYSA-N
MW449.40 g/mol
LogP3.81
Rot. Bonds4

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

2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55468764) has the molecular formula C19H26Cl2N2O4S and a molecular weight of 449.40 g/mol. Its IUPAC name is 2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55468764
Molecular FormulaC19H26Cl2N2O4S
Molecular Weight449.40 g/mol
Exact Mass448.10
IUPAC Name2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C1CCCCCC1
InChIInChI=1S/C19H26Cl2N2O4S/c1-22(14-6-4-2-3-5-7-14)19(24)15-12-18(17(21)13-16(15)20)28(25,26)23-8-10-27-11-9-23/h12-14H,2-11H2,1H3
InChIKeyHXJLTMMEPLWMRO-UHFFFAOYSA-N
XLogP3.81
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2336712
2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide
CID 19257581
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 2426270
2,4-dichloro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675286
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27670624
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 40950079
2,4-dichloro-N-[4-(4-methylpiperidin-1-yl)butyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55724763
2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide
CID 154759790
2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518178

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 55468764) is 2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide is CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)C1CCCCCC1.
What is the InChIKey of 2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HXJLTMMEPLWMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O4S/c1-22(14-6-4-2-3-5-7-14)19(24)15-12-18(17(21)13-16(15)20)28(25,26)23-8-10-27-11-9-23/h12-14H,2-11H2,1H3.
What are the key properties of 2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide?
2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 449.40 g/mol, XLogP of 3.81, 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-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55468764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).