4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide

C16H22N2O4S — CID 39667448

IUPAC4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCN2CCCCCC2=O)cc1
InChIInChI=1S/C16H22N2O4S/c1-13(19)14-6-8-15(9-7-14)23(21,22)17-10-12-18-11-4-2-3-5-16(18)20/h6-9,17H,2-5,10-12H2,1H3
InChIKeyKDDGATLGUNCILY-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.57
Rot. Bonds6

About 4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide

4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide (PubChem CID 39667448) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide
PubChem CID39667448
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCN2CCCCCC2=O)cc1
InChIInChI=1S/C16H22N2O4S/c1-13(19)14-6-8-15(9-7-14)23(21,22)17-10-12-18-11-4-2-3-5-16(18)20/h6-9,17H,2-5,10-12H2,1H3
InChIKeyKDDGATLGUNCILY-UHFFFAOYSA-N
XLogP1.57
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzenesulfonamide
CID 110722868
N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39667463
N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
CID 51075115
2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide
CID 46457679
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
5-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110722837
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110611274
4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 22204003
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-methylsulfonyl-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218921
N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110610137

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide (CID 39667448) is 4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCN2CCCCCC2=O)cc1.
What is the InChIKey of 4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide?
The InChIKey is KDDGATLGUNCILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-13(19)14-6-8-15(9-7-14)23(21,22)17-10-12-18-11-4-2-3-5-16(18)20/h6-9,17H,2-5,10-12H2,1H3.
What are the key properties of 4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide?
4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 39667448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).