5-(cycloheptylsulfamoyl)-2-methoxybenzamide

C15H22N2O4S — CID 6471379

IUPAC5-(cycloheptylsulfamoyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(N)=O
InChIInChI=1S/C15H22N2O4S/c1-21-14-9-8-12(10-13(14)15(16)18)22(19,20)17-11-6-4-2-3-5-7-11/h8-11,17H,2-7H2,1H3,(H2,16,18)
InChIKeyIRNRLSNJWVKIRF-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.80
Rot. Bonds5

About 5-(cycloheptylsulfamoyl)-2-methoxybenzamide

5-(cycloheptylsulfamoyl)-2-methoxybenzamide (PubChem CID 6471379) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-(cycloheptylsulfamoyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-(cycloheptylsulfamoyl)-2-methoxybenzamide
PubChem CID6471379
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name5-(cycloheptylsulfamoyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(N)=O
InChIInChI=1S/C15H22N2O4S/c1-21-14-9-8-12(10-13(14)15(16)18)22(19,20)17-11-6-4-2-3-5-7-11/h8-11,17H,2-7H2,1H3,(H2,16,18)
InChIKeyIRNRLSNJWVKIRF-UHFFFAOYSA-N
XLogP1.80
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylsulfamoyl)-2-methoxybenzamide?
The IUPAC name of 5-(cycloheptylsulfamoyl)-2-methoxybenzamide (CID 6471379) is 5-(cycloheptylsulfamoyl)-2-methoxybenzamide.
What is the SMILES notation for 5-(cycloheptylsulfamoyl)-2-methoxybenzamide?
The canonical SMILES for 5-(cycloheptylsulfamoyl)-2-methoxybenzamide is COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C(N)=O.
What is the InChIKey of 5-(cycloheptylsulfamoyl)-2-methoxybenzamide?
The InChIKey is IRNRLSNJWVKIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-14-9-8-12(10-13(14)15(16)18)22(19,20)17-11-6-4-2-3-5-7-11/h8-11,17H,2-7H2,1H3,(H2,16,18).
What are the key properties of 5-(cycloheptylsulfamoyl)-2-methoxybenzamide?
5-(cycloheptylsulfamoyl)-2-methoxybenzamide has a molecular weight of 326.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylsulfamoyl)-2-methoxybenzamide is sourced from PubChem (CID 6471379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).