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

C14H20N2O3S — CID 2738684

IUPAC4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCCCNC2=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-2-11-6-8-12(9-7-11)20(18,19)16-13-5-3-4-10-15-14(13)17/h6-9,13,16H,2-5,10H2,1H3,(H,15,17)
InChIKeyABRHDTODPDOIKT-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.20
Rot. Bonds4

About 4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide

4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide (PubChem CID 2738684) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide
PubChem CID2738684
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCCCNC2=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-2-11-6-8-12(9-7-11)20(18,19)16-13-5-3-4-10-15-14(13)17/h6-9,13,16H,2-5,10H2,1H3,(H,15,17)
InChIKeyABRHDTODPDOIKT-UHFFFAOYSA-N
XLogP1.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide (CID 2738684) is 4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NC2CCCCNC2=O)cc1.
What is the InChIKey of 4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide?
The InChIKey is ABRHDTODPDOIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-11-6-8-12(9-7-11)20(18,19)16-13-5-3-4-10-15-14(13)17/h6-9,13,16H,2-5,10H2,1H3,(H,15,17).
What are the key properties of 4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide?
4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide is sourced from PubChem (CID 2738684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).