2-(4-aminophenyl)ethyl sulfite

C8H10NO3S- — CID 89371135

IUPAC2-(4-aminophenyl)ethyl sulfite
SMILESNc1ccc(CCOS(=O)[O-])cc1
InChIInChI=1S/C8H11NO3S/c9-8-3-1-7(2-4-8)5-6-12-13(10)11/h1-4H,5-6,9H2,(H,10,11)/p-1
InChIKeyCMUOIBUCGBEGAV-UHFFFAOYSA-M
MW200.24 g/mol
LogP0.62
Rot. Bonds4

About 2-(4-aminophenyl)ethyl sulfite

2-(4-aminophenyl)ethyl sulfite (PubChem CID 89371135) has the molecular formula C8H10NO3S- and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(4-aminophenyl)ethyl sulfite.

Molecular Properties

Compound Name2-(4-aminophenyl)ethyl sulfite
PubChem CID89371135
Molecular FormulaC8H10NO3S-
Molecular Weight200.24 g/mol
Exact Mass200.04
IUPAC Name2-(4-aminophenyl)ethyl sulfite
SMILESNc1ccc(CCOS(=O)[O-])cc1
InChIInChI=1S/C8H11NO3S/c9-8-3-1-7(2-4-8)5-6-12-13(10)11/h1-4H,5-6,9H2,(H,10,11)/p-1
InChIKeyCMUOIBUCGBEGAV-UHFFFAOYSA-M
XLogP0.62
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)sulfonylethyl sulfite
CID 174595239
4-[2-(trifluoromethoxy)ethyl]aniline
CID 75530474
3-(4-aminophenyl)propane-1-sulfinic acid
CID 91622863
3-(4-aminophenyl)propyl formate
CID 87851882
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
(4-iodophenyl)methyl sulfite
CID 174745902
4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
CID 112587191
(4-phenylphenyl)methyl sulfite
CID 175522755
3-(4-aminophenyl)propyl-hydroxy-oxophosphanium
CID 67480214
4-[2-(4-fluorophenyl)sulfinylethyl]aniline
CID 61304596
4-[2-(2-iodophenoxy)ethyl]aniline
CID 43519777
4-(4-phenylbutoxymethyl)aniline
CID 114332885

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)ethyl sulfite?
The IUPAC name of 2-(4-aminophenyl)ethyl sulfite (CID 89371135) is 2-(4-aminophenyl)ethyl sulfite.
What is the SMILES notation for 2-(4-aminophenyl)ethyl sulfite?
The canonical SMILES for 2-(4-aminophenyl)ethyl sulfite is Nc1ccc(CCOS(=O)[O-])cc1.
What is the InChIKey of 2-(4-aminophenyl)ethyl sulfite?
The InChIKey is CMUOIBUCGBEGAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO3S/c9-8-3-1-7(2-4-8)5-6-12-13(10)11/h1-4H,5-6,9H2,(H,10,11)/p-1.
What are the key properties of 2-(4-aminophenyl)ethyl sulfite?
2-(4-aminophenyl)ethyl sulfite has a molecular weight of 200.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)ethyl sulfite is sourced from PubChem (CID 89371135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).