(N-chloroanilino) sulfite

C6H5ClNO3S- — CID 57250605

IUPAC(N-chloroanilino) sulfite
SMILESO=S([O-])ON(Cl)c1ccccc1
InChIInChI=1S/C6H6ClNO3S/c7-8(11-12(9)10)6-4-2-1-3-5-6/h1-5H,(H,9,10)/p-1
InChIKeyXOYHXKCUAOMTDF-UHFFFAOYSA-M
MW206.63 g/mol
LogP1.37
Rot. Bonds3

About (N-chloroanilino) sulfite

(N-chloroanilino) sulfite (PubChem CID 57250605) has the molecular formula C6H5ClNO3S- and a molecular weight of 206.63 g/mol. Its IUPAC name is (N-chloroanilino) sulfite.

Molecular Properties

Compound Name(N-chloroanilino) sulfite
PubChem CID57250605
Molecular FormulaC6H5ClNO3S-
Molecular Weight206.63 g/mol
Exact Mass205.97
IUPAC Name(N-chloroanilino) sulfite
SMILESO=S([O-])ON(Cl)c1ccccc1
InChIInChI=1S/C6H6ClNO3S/c7-8(11-12(9)10)6-4-2-1-3-5-6/h1-5H,(H,9,10)/p-1
InChIKeyXOYHXKCUAOMTDF-UHFFFAOYSA-M
XLogP1.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (N-chloroanilino) sulfite?
The IUPAC name of (N-chloroanilino) sulfite (CID 57250605) is (N-chloroanilino) sulfite.
What is the SMILES notation for (N-chloroanilino) sulfite?
The canonical SMILES for (N-chloroanilino) sulfite is O=S([O-])ON(Cl)c1ccccc1.
What is the InChIKey of (N-chloroanilino) sulfite?
The InChIKey is XOYHXKCUAOMTDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6ClNO3S/c7-8(11-12(9)10)6-4-2-1-3-5-6/h1-5H,(H,9,10)/p-1.
What are the key properties of (N-chloroanilino) sulfite?
(N-chloroanilino) sulfite has a molecular weight of 206.63 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (N-chloroanilino) sulfite is sourced from PubChem (CID 57250605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).