4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide

C14H24N2O4S — CID 81441653

IUPAC4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCOCCN(CC(C)C)S(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H24N2O4S/c1-11(2)10-16(7-8-19-3)21(17,18)12-5-6-13(15)14(9-12)20-4/h5-6,9,11H,7-8,10,15H2,1-4H3
InChIKeySZSKHKSHROZPBL-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.57
Rot. Bonds8

About 4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide

4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 81441653) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID81441653
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCOCCN(CC(C)C)S(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C14H24N2O4S/c1-11(2)10-16(7-8-19-3)21(17,18)12-5-6-13(15)14(9-12)20-4/h5-6,9,11H,7-8,10,15H2,1-4H3
InChIKeySZSKHKSHROZPBL-UHFFFAOYSA-N
XLogP1.57
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide (CID 81441653) is 4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide is COCCN(CC(C)C)S(=O)(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is SZSKHKSHROZPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-11(2)10-16(7-8-19-3)21(17,18)12-5-6-13(15)14(9-12)20-4/h5-6,9,11H,7-8,10,15H2,1-4H3.
What are the key properties of 4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide?
4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 81441653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).