1-chloro-2-(sulfinylamino)benzene

C6H4ClNOS — CID 21619

IUPAC1-chloro-2-(sulfinylamino)benzene
SMILESO=S=Nc1ccccc1Cl
InChIInChI=1S/C6H4ClNOS/c7-5-3-1-2-4-6(5)8-10-9/h1-4H
InChIKeySNJYAKTWBPXJGR-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.37
Rot. Bonds1

About 1-chloro-2-(sulfinylamino)benzene

1-chloro-2-(sulfinylamino)benzene (PubChem CID 21619) has the molecular formula C6H4ClNOS and a molecular weight of 173.62 g/mol. Its IUPAC name is 1-chloro-2-(sulfinylamino)benzene.

Molecular Properties

Compound Name1-chloro-2-(sulfinylamino)benzene
PubChem CID21619
Molecular FormulaC6H4ClNOS
Molecular Weight173.62 g/mol
Exact Mass172.97
IUPAC Name1-chloro-2-(sulfinylamino)benzene
SMILESO=S=Nc1ccccc1Cl
InChIInChI=1S/C6H4ClNOS/c7-5-3-1-2-4-6(5)8-10-9/h1-4H
InChIKeySNJYAKTWBPXJGR-UHFFFAOYSA-N
XLogP2.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(sulfinylamino)benzene?
The IUPAC name of 1-chloro-2-(sulfinylamino)benzene (CID 21619) is 1-chloro-2-(sulfinylamino)benzene.
What is the SMILES notation for 1-chloro-2-(sulfinylamino)benzene?
The canonical SMILES for 1-chloro-2-(sulfinylamino)benzene is O=S=Nc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(sulfinylamino)benzene?
The InChIKey is SNJYAKTWBPXJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNOS/c7-5-3-1-2-4-6(5)8-10-9/h1-4H.
What are the key properties of 1-chloro-2-(sulfinylamino)benzene?
1-chloro-2-(sulfinylamino)benzene has a molecular weight of 173.62 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(sulfinylamino)benzene is sourced from PubChem (CID 21619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).