2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide

C16H20Cl2N2O4S — CID 1310572

IUPAC2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O4S/c17-13-10-14(18)15(25(22,23)20-5-7-24-8-6-20)9-12(13)16(21)19-11-3-1-2-4-11/h9-11H,1-8H2,(H,19,21)
InChIKeyWBMGBKWWPSEYGI-UHFFFAOYSA-N
MW407.32 g/mol
LogP2.69
Rot. Bonds4

About 2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide

2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 1310572) has the molecular formula C16H20Cl2N2O4S and a molecular weight of 407.32 g/mol. Its IUPAC name is 2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID1310572
Molecular FormulaC16H20Cl2N2O4S
Molecular Weight407.32 g/mol
Exact Mass406.05
IUPAC Name2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O4S/c17-13-10-14(18)15(25(22,23)20-5-7-24-8-6-20)9-12(13)16(21)19-11-3-1-2-4-11/h9-11H,1-8H2,(H,19,21)
InChIKeyWBMGBKWWPSEYGI-UHFFFAOYSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide (CID 1310572) is 2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide is O=C(NC1CCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is WBMGBKWWPSEYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O4S/c17-13-10-14(18)15(25(22,23)20-5-7-24-8-6-20)9-12(13)16(21)19-11-3-1-2-4-11/h9-11H,1-8H2,(H,19,21).
What are the key properties of 2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide?
2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 407.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-cyclopentyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1310572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).