N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide

C14H22N2O3S — CID 103223804

IUPACN-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C14H22N2O3S/c1-2-16(13-8-7-9-14(17)12-13)20(18,19)15-10-5-3-4-6-11-15/h7-9,12,17H,2-6,10-11H2,1H3
InChIKeyJIAWDJBVOPSQPD-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.34
Rot. Bonds4

About N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide

N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide (PubChem CID 103223804) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide
PubChem CID103223804
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C14H22N2O3S/c1-2-16(13-8-7-9-14(17)12-13)20(18,19)15-10-5-3-4-6-11-15/h7-9,12,17H,2-6,10-11H2,1H3
InChIKeyJIAWDJBVOPSQPD-UHFFFAOYSA-N
XLogP2.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-N-ethylazepane-1-sulfonamide
CID 63230096
N-ethyl-N-(3-hydroxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 107736583
N-(2-hydroxyethyl)-N-phenylpiperidine-1-sulfonamide
CID 111462838
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutane-1-sulfonamide
CID 103223825
N-ethyl-N-(3-hydroxyphenyl)piperidine-3-sulfonamide
CID 107736844
5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 103223838
2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733558
1-[ethyl(2-methoxyethylsulfamoyl)amino]-3-hydroxybenzene
CID 107736611
N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
N-ethyl-N-(3-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 107736591
N-ethyl-N-(3-hydroxyphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 107858285
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223799

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide?
The IUPAC name of N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide (CID 103223804) is N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide is CCN(c1cccc(O)c1)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide?
The InChIKey is JIAWDJBVOPSQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-16(13-8-7-9-14(17)12-13)20(18,19)15-10-5-3-4-6-11-15/h7-9,12,17H,2-6,10-11H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide?
N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxyphenyl)azepane-1-sulfonamide is sourced from PubChem (CID 103223804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).