1,3-dichloro-2-(sulfinylamino)benzene

C6H3Cl2NOS — CID 14908816

IUPAC1,3-dichloro-2-(sulfinylamino)benzene
SMILESO=S=Nc1c(Cl)cccc1Cl
InChIInChI=1S/C6H3Cl2NOS/c7-4-2-1-3-5(8)6(4)9-11-10/h1-3H
InChIKeyVXAAXKHKIPTCJD-UHFFFAOYSA-N
MW208.07 g/mol
LogP3.02
Rot. Bonds1

About 1,3-dichloro-2-(sulfinylamino)benzene

1,3-dichloro-2-(sulfinylamino)benzene (PubChem CID 14908816) has the molecular formula C6H3Cl2NOS and a molecular weight of 208.07 g/mol. Its IUPAC name is 1,3-dichloro-2-(sulfinylamino)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(sulfinylamino)benzene
PubChem CID14908816
Molecular FormulaC6H3Cl2NOS
Molecular Weight208.07 g/mol
Exact Mass206.93
IUPAC Name1,3-dichloro-2-(sulfinylamino)benzene
SMILESO=S=Nc1c(Cl)cccc1Cl
InChIInChI=1S/C6H3Cl2NOS/c7-4-2-1-3-5(8)6(4)9-11-10/h1-3H
InChIKeyVXAAXKHKIPTCJD-UHFFFAOYSA-N
XLogP3.02
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(sulfinylamino)benzene?
The IUPAC name of 1,3-dichloro-2-(sulfinylamino)benzene (CID 14908816) is 1,3-dichloro-2-(sulfinylamino)benzene.
What is the SMILES notation for 1,3-dichloro-2-(sulfinylamino)benzene?
The canonical SMILES for 1,3-dichloro-2-(sulfinylamino)benzene is O=S=Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-(sulfinylamino)benzene?
The InChIKey is VXAAXKHKIPTCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NOS/c7-4-2-1-3-5(8)6(4)9-11-10/h1-3H.
What are the key properties of 1,3-dichloro-2-(sulfinylamino)benzene?
1,3-dichloro-2-(sulfinylamino)benzene has a molecular weight of 208.07 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(sulfinylamino)benzene is sourced from PubChem (CID 14908816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).