N-(4-ethoxyphenyl)azepane-1-sulfonamide

C14H22N2O3S — CID 2988232

IUPACN-(4-ethoxyphenyl)azepane-1-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-19-14-9-7-13(8-10-14)15-20(17,18)16-11-5-3-4-6-12-16/h7-10,15H,2-6,11-12H2,1H3
InChIKeyHRCISSOYXRSZIR-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.62
Rot. Bonds5

About N-(4-ethoxyphenyl)azepane-1-sulfonamide

N-(4-ethoxyphenyl)azepane-1-sulfonamide (PubChem CID 2988232) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)azepane-1-sulfonamide
PubChem CID2988232
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(4-ethoxyphenyl)azepane-1-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-2-19-14-9-7-13(8-10-14)15-20(17,18)16-11-5-3-4-6-12-16/h7-10,15H,2-6,11-12H2,1H3
InChIKeyHRCISSOYXRSZIR-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-aminoethoxy)phenyl]piperidine-1-sulfonamide
CID 43369622
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
N-(4-propan-2-yloxyphenyl)piperidine-1-sulfonamide
CID 110705941
2-(aminomethyl)-N-(4-ethoxyphenyl)piperidine-1-sulfonamide
CID 106045444
N-(4-cyanophenyl)piperidine-1-sulfonamide
CID 28785044
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
CID 9271299
N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide
CID 61223235
N-(4-ethoxyphenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268213
N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide
CID 62303926
N-[4-(4-ethoxyanilino)phenyl]ethanesulfonamide
CID 112987701
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)azepane-1-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)azepane-1-sulfonamide (CID 2988232) is N-(4-ethoxyphenyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)azepane-1-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)azepane-1-sulfonamide is CCOc1ccc(NS(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)azepane-1-sulfonamide?
The InChIKey is HRCISSOYXRSZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-19-14-9-7-13(8-10-14)15-20(17,18)16-11-5-3-4-6-12-16/h7-10,15H,2-6,11-12H2,1H3.
What are the key properties of N-(4-ethoxyphenyl)azepane-1-sulfonamide?
N-(4-ethoxyphenyl)azepane-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)azepane-1-sulfonamide is sourced from PubChem (CID 2988232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).