3-acetyl-N-cycloheptylbenzenesulfonamide

C15H21NO3S — CID 2422583

IUPAC3-acetyl-N-cycloheptylbenzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2CCCCCC2)c1
InChIInChI=1S/C15H21NO3S/c1-12(17)13-7-6-10-15(11-13)20(18,19)16-14-8-4-2-3-5-9-14/h6-7,10-11,14,16H,2-5,8-9H2,1H3
InChIKeyHGSIECSFBGMKRA-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.89
Rot. Bonds4

About 3-acetyl-N-cycloheptylbenzenesulfonamide

3-acetyl-N-cycloheptylbenzenesulfonamide (PubChem CID 2422583) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-acetyl-N-cycloheptylbenzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-cycloheptylbenzenesulfonamide
PubChem CID2422583
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name3-acetyl-N-cycloheptylbenzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC2CCCCCC2)c1
InChIInChI=1S/C15H21NO3S/c1-12(17)13-7-6-10-15(11-13)20(18,19)16-14-8-4-2-3-5-9-14/h6-7,10-11,14,16H,2-5,8-9H2,1H3
InChIKeyHGSIECSFBGMKRA-UHFFFAOYSA-N
XLogP2.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-cycloheptylbenzenesulfonamide?
The IUPAC name of 3-acetyl-N-cycloheptylbenzenesulfonamide (CID 2422583) is 3-acetyl-N-cycloheptylbenzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-cycloheptylbenzenesulfonamide?
The canonical SMILES for 3-acetyl-N-cycloheptylbenzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC2CCCCCC2)c1.
What is the InChIKey of 3-acetyl-N-cycloheptylbenzenesulfonamide?
The InChIKey is HGSIECSFBGMKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12(17)13-7-6-10-15(11-13)20(18,19)16-14-8-4-2-3-5-9-14/h6-7,10-11,14,16H,2-5,8-9H2,1H3.
What are the key properties of 3-acetyl-N-cycloheptylbenzenesulfonamide?
3-acetyl-N-cycloheptylbenzenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-cycloheptylbenzenesulfonamide is sourced from PubChem (CID 2422583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).