1-chloro-3-[methyl(sulfinato)amino]benzene

C7H7ClNO2S- — CID 18920379

IUPAC1-chloro-3-[methyl(sulfinato)amino]benzene
SMILESCN(c1cccc(Cl)c1)S(=O)[O-]
InChIInChI=1S/C7H8ClNO2S/c1-9(12(10)11)7-4-2-3-6(8)5-7/h2-5H,1H3,(H,10,11)/p-1
InChIKeyQMCOLVSBXVHKMH-UHFFFAOYSA-M
MW204.66 g/mol
LogP1.57
Rot. Bonds2

About 1-chloro-3-[methyl(sulfinato)amino]benzene

1-chloro-3-[methyl(sulfinato)amino]benzene (PubChem CID 18920379) has the molecular formula C7H7ClNO2S- and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-chloro-3-[methyl(sulfinato)amino]benzene.

Molecular Properties

Compound Name1-chloro-3-[methyl(sulfinato)amino]benzene
PubChem CID18920379
Molecular FormulaC7H7ClNO2S-
Molecular Weight204.66 g/mol
Exact Mass203.99
IUPAC Name1-chloro-3-[methyl(sulfinato)amino]benzene
SMILESCN(c1cccc(Cl)c1)S(=O)[O-]
InChIInChI=1S/C7H8ClNO2S/c1-9(12(10)11)7-4-2-3-6(8)5-7/h2-5H,1H3,(H,10,11)/p-1
InChIKeyQMCOLVSBXVHKMH-UHFFFAOYSA-M
XLogP1.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[methyl(sulfinato)amino]benzene?
The IUPAC name of 1-chloro-3-[methyl(sulfinato)amino]benzene (CID 18920379) is 1-chloro-3-[methyl(sulfinato)amino]benzene.
What is the SMILES notation for 1-chloro-3-[methyl(sulfinato)amino]benzene?
The canonical SMILES for 1-chloro-3-[methyl(sulfinato)amino]benzene is CN(c1cccc(Cl)c1)S(=O)[O-].
What is the InChIKey of 1-chloro-3-[methyl(sulfinato)amino]benzene?
The InChIKey is QMCOLVSBXVHKMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8ClNO2S/c1-9(12(10)11)7-4-2-3-6(8)5-7/h2-5H,1H3,(H,10,11)/p-1.
What are the key properties of 1-chloro-3-[methyl(sulfinato)amino]benzene?
1-chloro-3-[methyl(sulfinato)amino]benzene has a molecular weight of 204.66 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[methyl(sulfinato)amino]benzene is sourced from PubChem (CID 18920379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).