N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide

C15H23NO3S — CID 934558

IUPACN-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C15H23NO3S/c1-12-9-10-14(19-2)15(11-12)20(17,18)16-13-7-5-3-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3
InChIKeyXNQZZLHFXFZEIZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.00
Rot. Bonds4

About N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide

N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 934558) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide
PubChem CID934558
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C15H23NO3S/c1-12-9-10-14(19-2)15(11-12)20(17,18)16-13-7-5-3-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3
InChIKeyXNQZZLHFXFZEIZ-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide (CID 934558) is N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is XNQZZLHFXFZEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12-9-10-14(19-2)15(11-12)20(17,18)16-13-7-5-3-4-6-8-13/h9-11,13,16H,3-8H2,1-2H3.
What are the key properties of N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide?
N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 934558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).