(2-chloro-N-methylanilino) hydrogen sulfite

C7H8ClNO3S — CID 174954708

IUPAC(2-chloro-N-methylanilino) hydrogen 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)
InChIKeyLHLZZWHGUIKIOB-UHFFFAOYSA-N
MW221.66 g/mol
LogP1.84
Rot. Bonds3

About (2-chloro-N-methylanilino) hydrogen sulfite

(2-chloro-N-methylanilino) hydrogen sulfite (PubChem CID 174954708) has the molecular formula C7H8ClNO3S and a molecular weight of 221.66 g/mol. Its IUPAC name is (2-chloro-N-methylanilino) hydrogen sulfite.

Molecular Properties

Compound Name(2-chloro-N-methylanilino) hydrogen sulfite
PubChem CID174954708
Molecular FormulaC7H8ClNO3S
Molecular Weight221.66 g/mol
Exact Mass220.99
IUPAC Name(2-chloro-N-methylanilino) hydrogen 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)
InChIKeyLHLZZWHGUIKIOB-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-N-methylanilino) sulfite
CID 174954707
N-(2-chlorophenyl)-N-methylhydroxylamine
CID 87898260
ethane;N,N,2-trichloroaniline
CID 90006156
carbonic acid;N,N,2-trichloroaniline
CID 175495912
N-(2-chlorophenyl)-N-methylthiohydroxylamine
CID 89048584
S-chloro N-(2-chlorophenyl)-N-methylcarbamothioate
CID 12957837
N,N,2-trichloroaniline;hydrochloride
CID 88693018
N-(2-chlorophenyl)-N-methylbutanamide
CID 12936039
[chloro(methyl)amino] hydrogen sulfite
CID 174639772
3-(2-chloro-N-methylanilino)benzoic acid
CID 117029299
5-methyl-3-[methyl(sulfinooxy)amino]thiophene-2-carboxylic acid
CID 175310840
1,2-dichlorobenzene;1,1-dimethylurea
CID 161139113

Frequently Asked Questions

What is the IUPAC name of (2-chloro-N-methylanilino) hydrogen sulfite?
The IUPAC name of (2-chloro-N-methylanilino) hydrogen sulfite (CID 174954708) is (2-chloro-N-methylanilino) hydrogen sulfite.
What is the SMILES notation for (2-chloro-N-methylanilino) hydrogen sulfite?
The canonical SMILES for (2-chloro-N-methylanilino) hydrogen sulfite is CN(OS(=O)O)c1ccccc1Cl.
What is the InChIKey of (2-chloro-N-methylanilino) hydrogen sulfite?
The InChIKey is LHLZZWHGUIKIOB-UHFFFAOYSA-N. 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).
What are the key properties of (2-chloro-N-methylanilino) hydrogen sulfite?
(2-chloro-N-methylanilino) hydrogen sulfite has a molecular weight of 221.66 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-N-methylanilino) hydrogen sulfite is sourced from PubChem (CID 174954708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).