2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide

C11H19N3O3S — CID 106334340

IUPAC2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cccc(OC)c1N
InChIInChI=1S/C11H19N3O3S/c1-3-14-18(15,16)8-7-13-9-5-4-6-10(17-2)11(9)12/h4-6,13-14H,3,7-8,12H2,1-2H3
InChIKeyCFYFZCOZAQCVMP-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.63
Rot. Bonds7

About 2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide

2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide (PubChem CID 106334340) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide
PubChem CID106334340
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cccc(OC)c1N
InChIInChI=1S/C11H19N3O3S/c1-3-14-18(15,16)8-7-13-9-5-4-6-10(17-2)11(9)12/h4-6,13-14H,3,7-8,12H2,1-2H3
InChIKeyCFYFZCOZAQCVMP-UHFFFAOYSA-N
XLogP0.63
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
3-methoxy-1-N-(2-pyrazol-1-ylethyl)benzene-1,2-diamine
CID 113392574
2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide
CID 106337997
N-ethyl-2-[3-(ethylamino)-2-nitroanilino]ethanesulfonamide
CID 106343361
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106334265
3-methoxy-1-N-(7-methyloctyl)benzene-1,2-diamine
CID 107814794
2-(3-methoxy-2-nitroanilino)-N-methylethanesulfonamide
CID 106337686
3-methoxy-1-N-(3-methylpentan-3-yl)benzene-1,2-diamine
CID 106328150
2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333459
5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol
CID 106154653
3-methoxy-1-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzene-1,2-diamine
CID 113392706
2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide
CID 106334327

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide?
The IUPAC name of 2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide (CID 106334340) is 2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide.
What is the SMILES notation for 2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide?
The canonical SMILES for 2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1cccc(OC)c1N.
What is the InChIKey of 2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide?
The InChIKey is CFYFZCOZAQCVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-14-18(15,16)8-7-13-9-5-4-6-10(17-2)11(9)12/h4-6,13-14H,3,7-8,12H2,1-2H3.
What are the key properties of 2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide?
2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methoxyanilino)-N-ethylethanesulfonamide is sourced from PubChem (CID 106334340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).