5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C14H22N2O4S — CID 61436327

IUPAC5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)N(C)CC1CCCO1
InChIInChI=1S/C14H22N2O4S/c1-3-19-13-7-6-11(15)9-14(13)21(17,18)16(2)10-12-5-4-8-20-12/h6-7,9,12H,3-5,8,10,15H2,1-2H3
InChIKeySZBOPIZTIOIABH-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.47
Rot. Bonds6

About 5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 61436327) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID61436327
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)N(C)CC1CCCO1
InChIInChI=1S/C14H22N2O4S/c1-3-19-13-7-6-11(15)9-14(13)21(17,18)16(2)10-12-5-4-8-20-12/h6-7,9,12H,3-5,8,10,15H2,1-2H3
InChIKeySZBOPIZTIOIABH-UHFFFAOYSA-N
XLogP1.47
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(cyclobutylmethyl)-2-ethoxy-N-methylbenzenesulfonamide
CID 62856750
4-amino-2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 102931122
5-amino-N-methyl-2-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 62158780
5-amino-2-ethoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43663017
4-ethoxy-3-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 61431598
5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61433419
5-amino-2-ethoxy-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428184
5-amino-2-ethoxy-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61428651
4-(aminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 79190871
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899
2-hydrazinyl-N-methyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 61436014
N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 61436327) is 5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)N(C)CC1CCCO1.
What is the InChIKey of 5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is SZBOPIZTIOIABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-19-13-7-6-11(15)9-14(13)21(17,18)16(2)10-12-5-4-8-20-12/h6-7,9,12H,3-5,8,10,15H2,1-2H3.
What are the key properties of 5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61436327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).