N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide

C15H20N2O3S — CID 75508306

IUPACN-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C15H20N2O3S/c1-20-13-8-4-5-9-14(13)21(18,19)17-15(12-16)10-6-2-3-7-11-15/h4-5,8-9,17H,2-3,6-7,10-11H2,1H3
InChIKeyPOBFYEUVNWRWPP-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.59
Rot. Bonds4

About N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide

N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide (PubChem CID 75508306) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide
PubChem CID75508306
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C15H20N2O3S/c1-20-13-8-4-5-9-14(13)21(18,19)17-15(12-16)10-6-2-3-7-11-15/h4-5,8-9,17H,2-3,6-7,10-11H2,1H3
InChIKeyPOBFYEUVNWRWPP-UHFFFAOYSA-N
XLogP2.59
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide (CID 75508306) is N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide?
The InChIKey is POBFYEUVNWRWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-20-13-8-4-5-9-14(13)21(18,19)17-15(12-16)10-6-2-3-7-11-15/h4-5,8-9,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide?
N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 75508306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).