3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide

C13H22N2O4S — CID 106446796

IUPAC3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OCCOCC(C)C)c(N)c1
InChIInChI=1S/C13H22N2O4S/c1-10(2)9-18-6-7-19-13-5-4-11(8-12(13)14)20(16,17)15-3/h4-5,8,10,15H,6-7,9,14H2,1-3H3
InChIKeyIFPPAEBZNQECAE-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.23
Rot. Bonds8

About 3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide

3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide (PubChem CID 106446796) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide
PubChem CID106446796
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OCCOCC(C)C)c(N)c1
InChIInChI=1S/C13H22N2O4S/c1-10(2)9-18-6-7-19-13-5-4-11(8-12(13)14)20(16,17)15-3/h4-5,8,10,15H,6-7,9,14H2,1-3H3
InChIKeyIFPPAEBZNQECAE-UHFFFAOYSA-N
XLogP1.23
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
CID 104559947
3-amino-N-methyl-4-(2-propoxyethoxy)benzenesulfonamide
CID 55234253
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328
3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide
CID 54936668
4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 82901458
3-amino-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43382810
2-[2-(2-methylpropoxy)ethoxy]-5-(trifluoromethyl)aniline
CID 106446774
3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
CID 106446783
3-amino-4-(2-methylpropoxy)benzenesulfonic acid
CID 21223116
5-methylsulfonyl-2-(2-propan-2-yloxyethoxy)aniline
CID 43382647
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxy]-5-nitrophenyl]methanamine
CID 106449890
4-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine
CID 106446734

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide (CID 106446796) is 3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide is CNS(=O)(=O)c1ccc(OCCOCC(C)C)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide?
The InChIKey is IFPPAEBZNQECAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-10(2)9-18-6-7-19-13-5-4-11(8-12(13)14)20(16,17)15-3/h4-5,8,10,15H,6-7,9,14H2,1-3H3.
What are the key properties of 3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide?
3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide is sourced from PubChem (CID 106446796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).