1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene

C14H12ClNO3S — CID 54519335

IUPAC1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene
SMILESCc1ccc(S(=O)(=O)C(N=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c1-10-6-8-11(9-7-10)20(18,19)14(16-17)12-4-2-3-5-13(12)15/h2-9,14H,1H3
InChIKeyYOQXXSSVXKXDFA-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.89
Rot. Bonds4

About 1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene

1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene (PubChem CID 54519335) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene
PubChem CID54519335
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene
SMILESCc1ccc(S(=O)(=O)C(N=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c1-10-6-8-11(9-7-10)20(18,19)14(16-17)12-4-2-3-5-13(12)15/h2-9,14H,1H3
InChIKeyYOQXXSSVXKXDFA-UHFFFAOYSA-N
XLogP3.89
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-2-[(R)-isocyano-(4-methylphenyl)sulfonylmethyl]benzene
CID 97291138
2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642213
N-[1-(2-chlorophenyl)ethyl]-1-(4-methylphenyl)methanimine
CID 22483225
1-(4-methylphenyl)sulfonylethyl nitrite
CID 174973113
1-[(1R)-1-bromoethyl]-2-(4-methylphenyl)sulfonylbenzene
CID 25260253
1-bromo-2-[1-(4-methylphenyl)sulfonylethyl]benzene
CID 10903898
N-[1-(2-chlorophenyl)-2-formylprop-2-enyl]-4-methylbenzenesulfonamide
CID 102577146
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-[(4-chlorophenyl)-phenylmethyl]sulfonyl-4-methylbenzene
CID 25242109
N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 71663028
1-chloro-2-[(4-methylphenyl)sulfonylsulfanylmethyl]benzene
CID 23464236

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene?
The IUPAC name of 1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene (CID 54519335) is 1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene.
What is the SMILES notation for 1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene?
The canonical SMILES for 1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene is Cc1ccc(S(=O)(=O)C(N=O)c2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene?
The InChIKey is YOQXXSSVXKXDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-10-6-8-11(9-7-10)20(18,19)14(16-17)12-4-2-3-5-13(12)15/h2-9,14H,1H3.
What are the key properties of 1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene?
1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene has a molecular weight of 309.77 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene is sourced from PubChem (CID 54519335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).