2-(4-aminophenyl)sulfonylethyl sulfite

C8H10NO5S2- — CID 174595239

IUPAC2-(4-aminophenyl)sulfonylethyl sulfite
SMILESNc1ccc(S(=O)(=O)CCOS(=O)[O-])cc1
InChIInChI=1S/C8H11NO5S2/c9-7-1-3-8(4-2-7)16(12,13)6-5-14-15(10)11/h1-4H,5-6,9H2,(H,10,11)/p-1
InChIKeyHRPYZKHAYBQPRX-UHFFFAOYSA-M
MW264.30 g/mol
LogP-0.15
Rot. Bonds5

About 2-(4-aminophenyl)sulfonylethyl sulfite

2-(4-aminophenyl)sulfonylethyl sulfite (PubChem CID 174595239) has the molecular formula C8H10NO5S2- and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonylethyl sulfite.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfonylethyl sulfite
PubChem CID174595239
Molecular FormulaC8H10NO5S2-
Molecular Weight264.30 g/mol
Exact Mass264.00
IUPAC Name2-(4-aminophenyl)sulfonylethyl sulfite
SMILESNc1ccc(S(=O)(=O)CCOS(=O)[O-])cc1
InChIInChI=1S/C8H11NO5S2/c9-7-1-3-8(4-2-7)16(12,13)6-5-14-15(10)11/h1-4H,5-6,9H2,(H,10,11)/p-1
InChIKeyHRPYZKHAYBQPRX-UHFFFAOYSA-M
XLogP-0.15
TPSA109.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyethylsulfonyl)aniline
CID 61368221
2-(4-aminophenyl)ethyl sulfite
CID 89371135
4-[2-(hydroxy-methylidene-oxo-λ6-sulfanyl)oxyethylsulfonyl]aniline
CID 147476168
4-[2-(3-methoxypropoxy)ethylsulfonyl]aniline
CID 103182208
4-[2-(4-methylphenoxy)ethylsulfonyl]aniline
CID 39398000
4-[2-(4-fluorophenoxy)ethylsulfonyl]aniline
CID 39404405
3-(4-aminophenyl)sulfonylpropanamide
CID 61367837
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
4-(chloromethylsulfonyl)aniline
CID 12707626
4-[3-(4-fluorophenyl)sulfonylpropoxy]aniline
CID 43444223
4-[(4-aminophenyl)sulfonylmethyl]aniline
CID 571742
4-[2-(3-ethylphenoxy)ethylsulfonyl]aniline
CID 39436109

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfonylethyl sulfite?
The IUPAC name of 2-(4-aminophenyl)sulfonylethyl sulfite (CID 174595239) is 2-(4-aminophenyl)sulfonylethyl sulfite.
What is the SMILES notation for 2-(4-aminophenyl)sulfonylethyl sulfite?
The canonical SMILES for 2-(4-aminophenyl)sulfonylethyl sulfite is Nc1ccc(S(=O)(=O)CCOS(=O)[O-])cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfonylethyl sulfite?
The InChIKey is HRPYZKHAYBQPRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO5S2/c9-7-1-3-8(4-2-7)16(12,13)6-5-14-15(10)11/h1-4H,5-6,9H2,(H,10,11)/p-1.
What are the key properties of 2-(4-aminophenyl)sulfonylethyl sulfite?
2-(4-aminophenyl)sulfonylethyl sulfite has a molecular weight of 264.30 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfonylethyl sulfite is sourced from PubChem (CID 174595239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).