N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide

C21H26N2O3S — CID 3381789

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCCCCC1
InChIInChI=1S/C21H26N2O3S/c24-21(22-15-9-1-2-10-16-22)18-23(17-19-11-5-3-6-12-19)27(25,26)20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2
InChIKeyHFVOZEAOWUKOLC-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide (PubChem CID 3381789) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
PubChem CID3381789
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCCCCC1
InChIInChI=1S/C21H26N2O3S/c24-21(22-15-9-1-2-10-16-22)18-23(17-19-11-5-3-6-12-19)27(25,26)20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2
InChIKeyHFVOZEAOWUKOLC-UHFFFAOYSA-N
XLogP3.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1120651
4-acetyl-N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 4879572
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-[(4-bromophenyl)methyl]benzenesulfonamide
CID 3355285
N-[(2,4-dichlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1326939
N-benzyl-4-fluoro-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 3779168
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 1208474
N-benzyl-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 3517149
N-benzyl-4-bromo-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934309
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 2925753
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chloro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 1330104
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 126009765
N-[(4-bromophenyl)methyl]-4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1290646

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide (CID 3381789) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide?
The InChIKey is HFVOZEAOWUKOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-21(22-15-9-1-2-10-16-22)18-23(17-19-11-5-3-6-12-19)27(25,26)20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide is sourced from PubChem (CID 3381789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).