1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene

C12H8ClNO2S2 — CID 123363089

IUPAC1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene
SMILESO=S(=O)(c1ccccc1)c1ccc(N=S)cc1Cl
InChIInChI=1S/C12H8ClNO2S2/c13-11-8-9(14-17)6-7-12(11)18(15,16)10-4-2-1-3-5-10/h1-8H
InChIKeyHAGRLALQMXVPLF-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.53
Rot. Bonds3

About 1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene

1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene (PubChem CID 123363089) has the molecular formula C12H8ClNO2S2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene
PubChem CID123363089
Molecular FormulaC12H8ClNO2S2
Molecular Weight297.79 g/mol
Exact Mass296.97
IUPAC Name1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene
SMILESO=S(=O)(c1ccccc1)c1ccc(N=S)cc1Cl
InChIInChI=1S/C12H8ClNO2S2/c13-11-8-9(14-17)6-7-12(11)18(15,16)10-4-2-1-3-5-10/h1-8H
InChIKeyHAGRLALQMXVPLF-UHFFFAOYSA-N
XLogP3.53
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N'-[4-(benzenesulfonyl)-3-chlorophenyl]-N-cyanocarbamimidothioate
CID 90303092
1,2-bis(benzenesulfonyl)benzene
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2-(benzenesulfonyl)-6-chloroaniline
CID 22766719
2-(benzenesulfonyl)-5-chloroaniline
CID 20552660
1-(benzenesulfonyl)-3-chloro-2-fluorobenzene
CID 118451545
2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine
CID 66582460
3-(benzenesulfonyl)-4-(3,4-dichlorophenyl)sulfonyl-1H-pyrrole
CID 11200858
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
5-(benzenesulfonyl)-3,4-dimethylbenzene-1,2-diol
CID 101301694
2-chloro-1-(2-fluorophenyl)-4-thionitrosobenzene
CID 118636345
5-(benzenesulfonyl)-2,4-dimethylbenzene-1,3-diol
CID 101301695

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene?
The IUPAC name of 1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene (CID 123363089) is 1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene.
What is the SMILES notation for 1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene?
The canonical SMILES for 1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene is O=S(=O)(c1ccccc1)c1ccc(N=S)cc1Cl.
What is the InChIKey of 1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene?
The InChIKey is HAGRLALQMXVPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2S2/c13-11-8-9(14-17)6-7-12(11)18(15,16)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene?
1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene has a molecular weight of 297.79 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-chloro-4-thionitrosobenzene is sourced from PubChem (CID 123363089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).