[chloro-(sulfinoamino)methyl]benzene

C7H8ClNO2S — CID 174257059

IUPAC[chloro-(sulfinoamino)methyl]benzene
SMILESO=S(O)NC(Cl)c1ccccc1
InChIInChI=1S/C7H8ClNO2S/c8-7(9-12(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
InChIKeyCSFULLKAIQECRA-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.65
Rot. Bonds3

About [chloro-(sulfinoamino)methyl]benzene

[chloro-(sulfinoamino)methyl]benzene (PubChem CID 174257059) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is [chloro-(sulfinoamino)methyl]benzene.

Molecular Properties

Compound Name[chloro-(sulfinoamino)methyl]benzene
PubChem CID174257059
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name[chloro-(sulfinoamino)methyl]benzene
SMILESO=S(O)NC(Cl)c1ccccc1
InChIInChI=1S/C7H8ClNO2S/c8-7(9-12(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
InChIKeyCSFULLKAIQECRA-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

[chloro(phenyl)methyl] hydrogen sulfite
CID 174463851
[chloro(phenyl)methyl]hydrazine
CID 67761420
3-chloro-2-oxo-3-phenylpropane-1-sulfinic acid
CID 57131351
2-chloro-1-phenylprop-2-ene-1-sulfinic acid
CID 175250307
diphenylmethanesulfinyl chloride
CID 140576973
dichloromethylbenzene
CID 7411
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
dichloromethylbenzene;nitrous acid
CID 175092421
3-chloro-2-oxo-1-phenylpropane-1-sulfinic acid
CID 57023511
2,2,2-trifluoro-1-phenylethanesulfinic acid
CID 18758760
[chloro(ethylsulfinyl)methyl]benzene
CID 24972167
(Chlorobenzyl)silane
CID 23051080

Frequently Asked Questions

What is the IUPAC name of [chloro-(sulfinoamino)methyl]benzene?
The IUPAC name of [chloro-(sulfinoamino)methyl]benzene (CID 174257059) is [chloro-(sulfinoamino)methyl]benzene.
What is the SMILES notation for [chloro-(sulfinoamino)methyl]benzene?
The canonical SMILES for [chloro-(sulfinoamino)methyl]benzene is O=S(O)NC(Cl)c1ccccc1.
What is the InChIKey of [chloro-(sulfinoamino)methyl]benzene?
The InChIKey is CSFULLKAIQECRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c8-7(9-12(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11).
What are the key properties of [chloro-(sulfinoamino)methyl]benzene?
[chloro-(sulfinoamino)methyl]benzene has a molecular weight of 205.67 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-(sulfinoamino)methyl]benzene is sourced from PubChem (CID 174257059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).