N-(2-oxoazepan-3-yl)benzenesulfonamide

C12H16N2O3S — CID 2813201

IUPACN-(2-oxoazepan-3-yl)benzenesulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16N2O3S/c15-12-11(8-4-5-9-13-12)14-18(16,17)10-6-2-1-3-7-10/h1-3,6-7,11,14H,4-5,8-9H2,(H,13,15)
InChIKeyFQEKYKDBYAXLIL-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.63
Rot. Bonds3

About N-(2-oxoazepan-3-yl)benzenesulfonamide

N-(2-oxoazepan-3-yl)benzenesulfonamide (PubChem CID 2813201) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)benzenesulfonamide
PubChem CID2813201
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(2-oxoazepan-3-yl)benzenesulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16N2O3S/c15-12-11(8-4-5-9-13-12)14-18(16,17)10-6-2-1-3-7-10/h1-3,6-7,11,14H,4-5,8-9H2,(H,13,15)
InChIKeyFQEKYKDBYAXLIL-UHFFFAOYSA-N
XLogP0.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-oxoazepan-3-yl)benzenesulfonamide (CID 2813201) is N-(2-oxoazepan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)benzenesulfonamide is O=C1NCCCCC1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-oxoazepan-3-yl)benzenesulfonamide?
The InChIKey is FQEKYKDBYAXLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-12-11(8-4-5-9-13-12)14-18(16,17)10-6-2-1-3-7-10/h1-3,6-7,11,14H,4-5,8-9H2,(H,13,15).
What are the key properties of N-(2-oxoazepan-3-yl)benzenesulfonamide?
N-(2-oxoazepan-3-yl)benzenesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)benzenesulfonamide is sourced from PubChem (CID 2813201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).