3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide

C11H18N2O3S — CID 54967740

IUPAC3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)CCCN)c1
InChIInChI=1S/C11H18N2O3S/c1-2-16-11-6-3-5-10(9-11)13-17(14,15)8-4-7-12/h3,5-6,9,13H,2,4,7-8,12H2,1H3
InChIKeyOWPVJLJDYOGBGG-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.18
Rot. Bonds7

About 3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide

3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide (PubChem CID 54967740) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
PubChem CID54967740
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)CCCN)c1
InChIInChI=1S/C11H18N2O3S/c1-2-16-11-6-3-5-10(9-11)13-17(14,15)8-4-7-12/h3,5-6,9,13H,2,4,7-8,12H2,1H3
InChIKeyOWPVJLJDYOGBGG-UHFFFAOYSA-N
XLogP1.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 39373158
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
1-(4-aminophenyl)-N-(3-ethoxyphenyl)methanesulfonamide
CID 61125731
N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide
CID 175293651
3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide
CID 54944430
4-amino-N-(3-ethylphenyl)butane-1-sulfonamide
CID 54952501
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
2-chloro-N-(3-propoxyphenyl)ethanesulfonamide
CID 107651359
N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
CID 61456491
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
CID 63245735
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550
N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 61062339

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide (CID 54967740) is 3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide is CCOc1cccc(NS(=O)(=O)CCCN)c1.
What is the InChIKey of 3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide?
The InChIKey is OWPVJLJDYOGBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-2-16-11-6-3-5-10(9-11)13-17(14,15)8-4-7-12/h3,5-6,9,13H,2,4,7-8,12H2,1H3.
What are the key properties of 3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide?
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 54967740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).