4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide

C18H25ClN2O4S — CID 1092712

IUPAC4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H25ClN2O4S/c19-16-8-7-14(18(22)20-15-5-3-1-2-4-6-15)13-17(16)26(23,24)21-9-11-25-12-10-21/h7-8,13,15H,1-6,9-12H2,(H,20,22)
InChIKeyDAWYFQXXHIPCGB-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.81
Rot. Bonds4

About 4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1092712) has the molecular formula C18H25ClN2O4S and a molecular weight of 400.93 g/mol. Its IUPAC name is 4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1092712
Molecular FormulaC18H25ClN2O4S
Molecular Weight400.93 g/mol
Exact Mass400.12
IUPAC Name4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NC1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H25ClN2O4S/c19-16-8-7-14(18(22)20-15-5-3-1-2-4-6-15)13-17(16)26(23,24)21-9-11-25-12-10-21/h7-8,13,15H,1-6,9-12H2,(H,20,22)
InChIKeyDAWYFQXXHIPCGB-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide (CID 1092712) is 4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide is O=C(NC1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DAWYFQXXHIPCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4S/c19-16-8-7-14(18(22)20-15-5-3-1-2-4-6-15)13-17(16)26(23,24)21-9-11-25-12-10-21/h7-8,13,15H,1-6,9-12H2,(H,20,22).
What are the key properties of 4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 400.93 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cycloheptyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1092712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).