(2-chloro-N-methylanilino) sulfite

C7H7ClNO3S- — CID 174954707

IUPAC(2-chloro-N-methylanilino) sulfite
SMILESCN(OS(=O)[O-])c1ccccc1Cl
InChIInChI=1S/C7H8ClNO3S/c1-9(12-13(10)11)7-5-3-2-4-6(7)8/h2-5H,1H3,(H,10,11)/p-1
InChIKeyLHLZZWHGUIKIOB-UHFFFAOYSA-M
MW220.66 g/mol
LogP1.50
Rot. Bonds3

About (2-chloro-N-methylanilino) sulfite

(2-chloro-N-methylanilino) sulfite (PubChem CID 174954707) has the molecular formula C7H7ClNO3S- and a molecular weight of 220.66 g/mol. Its IUPAC name is (2-chloro-N-methylanilino) sulfite.

Molecular Properties

Compound Name(2-chloro-N-methylanilino) sulfite
PubChem CID174954707
Molecular FormulaC7H7ClNO3S-
Molecular Weight220.66 g/mol
Exact Mass219.98
IUPAC Name(2-chloro-N-methylanilino) sulfite
SMILESCN(OS(=O)[O-])c1ccccc1Cl
InChIInChI=1S/C7H8ClNO3S/c1-9(12-13(10)11)7-5-3-2-4-6(7)8/h2-5H,1H3,(H,10,11)/p-1
InChIKeyLHLZZWHGUIKIOB-UHFFFAOYSA-M
XLogP1.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-chloro-N-methylanilino) sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-N-methylanilino) hydrogen sulfite
CID 174954708
[methyl(naphthalen-2-yl)amino] sulfite
CID 174392353
N-(2-chlorophenyl)-N-methoxynitramide
CID 90776138
N-(2-chlorophenyl)-N-methylhydroxylamine
CID 87898260
N-(2-chlorophenyl)-N-methylthiohydroxylamine
CID 89048584
(N-chloroanilino) sulfite
CID 57250605
(2,6-dichloro-N-methyl-3-propanoylanilino) sulfite
CID 174435055
ethane;N,N,2-trichloroaniline
CID 90006156
(2,6-dichlorophenyl) sulfite
CID 57114044
S-chloro N-(2-chlorophenyl)-N-methylcarbamothioate
CID 12957837
sodium 2,6-dichlorobenzenesulfinate
CID 18345412
N,N,2-trichloroaniline;hydrochloride
CID 88693018

Frequently Asked Questions

What is the IUPAC name of (2-chloro-N-methylanilino) sulfite?
The IUPAC name of (2-chloro-N-methylanilino) sulfite (CID 174954707) is (2-chloro-N-methylanilino) sulfite.
What is the SMILES notation for (2-chloro-N-methylanilino) sulfite?
The canonical SMILES for (2-chloro-N-methylanilino) sulfite is CN(OS(=O)[O-])c1ccccc1Cl.
What is the InChIKey of (2-chloro-N-methylanilino) sulfite?
The InChIKey is LHLZZWHGUIKIOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8ClNO3S/c1-9(12-13(10)11)7-5-3-2-4-6(7)8/h2-5H,1H3,(H,10,11)/p-1.
What are the key properties of (2-chloro-N-methylanilino) sulfite?
(2-chloro-N-methylanilino) sulfite has a molecular weight of 220.66 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-N-methylanilino) sulfite is sourced from PubChem (CID 174954707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).