1-chloro-4-methylsulfonyl-2-nitrosobenzene

C7H6ClNO3S — CID 174894996

IUPAC1-chloro-4-methylsulfonyl-2-nitrosobenzene
SMILESCS(=O)(=O)c1ccc(Cl)c(N=O)c1
InChIInChI=1S/C7H6ClNO3S/c1-13(11,12)5-2-3-6(8)7(4-5)9-10/h2-4H,1H3
InChIKeyDRZIIEQCCWHOAE-UHFFFAOYSA-N
MW219.65 g/mol
LogP2.14
Rot. Bonds2

About 1-chloro-4-methylsulfonyl-2-nitrosobenzene

1-chloro-4-methylsulfonyl-2-nitrosobenzene (PubChem CID 174894996) has the molecular formula C7H6ClNO3S and a molecular weight of 219.65 g/mol. Its IUPAC name is 1-chloro-4-methylsulfonyl-2-nitrosobenzene.

Molecular Properties

Compound Name1-chloro-4-methylsulfonyl-2-nitrosobenzene
PubChem CID174894996
Molecular FormulaC7H6ClNO3S
Molecular Weight219.65 g/mol
Exact Mass218.98
IUPAC Name1-chloro-4-methylsulfonyl-2-nitrosobenzene
SMILESCS(=O)(=O)c1ccc(Cl)c(N=O)c1
InChIInChI=1S/C7H6ClNO3S/c1-13(11,12)5-2-3-6(8)7(4-5)9-10/h2-4H,1H3
InChIKeyDRZIIEQCCWHOAE-UHFFFAOYSA-N
XLogP2.14
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine
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N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
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(2,5-dichlorophenyl)imino-dimethyl-oxo-λ6-sulfane
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4-chloro-3-methylsulfonylbenzenesulfonyl chloride
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1-(2-chloro-5-methylsulfonylphenyl)-2-fluoro-3-methylbenzene
CID 118330518
N-(4-methylsulfonyl-2-nitrosophenyl)-1,3-benzodioxol-5-amine
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylsulfonyl-2-nitrosobenzene?
The IUPAC name of 1-chloro-4-methylsulfonyl-2-nitrosobenzene (CID 174894996) is 1-chloro-4-methylsulfonyl-2-nitrosobenzene.
What is the SMILES notation for 1-chloro-4-methylsulfonyl-2-nitrosobenzene?
The canonical SMILES for 1-chloro-4-methylsulfonyl-2-nitrosobenzene is CS(=O)(=O)c1ccc(Cl)c(N=O)c1.
What is the InChIKey of 1-chloro-4-methylsulfonyl-2-nitrosobenzene?
The InChIKey is DRZIIEQCCWHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3S/c1-13(11,12)5-2-3-6(8)7(4-5)9-10/h2-4H,1H3.
What are the key properties of 1-chloro-4-methylsulfonyl-2-nitrosobenzene?
1-chloro-4-methylsulfonyl-2-nitrosobenzene has a molecular weight of 219.65 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylsulfonyl-2-nitrosobenzene is sourced from PubChem (CID 174894996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).