2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine

C12H8Cl2N2O4S — CID 2799605

IUPAC2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine
SMILESCc1cc(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c1-7-4-11(10(14)5-9(7)13)21(19,20)12-3-2-8(6-15-12)16(17)18/h2-6H,1H3
InChIKeyBPQWJZPSUYKDSY-UHFFFAOYSA-N
MW347.18 g/mol
LogP3.44
Rot. Bonds3

About 2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine

2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine (PubChem CID 2799605) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine
PubChem CID2799605
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC Name2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine
SMILESCc1cc(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c1-7-4-11(10(14)5-9(7)13)21(19,20)12-3-2-8(6-15-12)16(17)18/h2-6H,1H3
InChIKeyBPQWJZPSUYKDSY-UHFFFAOYSA-N
XLogP3.44
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-methylphenyl)sulfonyl-5-nitropyridine
CID 118230894
2-(benzenesulfonyl)-5-nitropyridine
CID 1477595
1,2,4-trichloro-5-(4-nitrophenyl)sulfonylbenzene
CID 2801604
5-nitro-2-propan-2-ylsulfonylpyridine
CID 23537091
4-chloro-2,5-dimethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774128
2-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-4-[1-(4-nitrophenyl)ethyl]-1,3-thiazole
CID 87551035
1,5-dichloro-2-methyl-4-[2-nitro-4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 2799609
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
ethane;2-methyl-5-nitropyridine
CID 123657002
2-methyl-5-nitrobenzenesulfonyl chloride
CID 8457
(3S)-3-methyl-1-[(5-nitro-2-pyridinyl)sulfonyl]piperazine
CID 97163318
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine?
The IUPAC name of 2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine (CID 2799605) is 2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine.
What is the SMILES notation for 2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine?
The canonical SMILES for 2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine is Cc1cc(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine?
The InChIKey is BPQWJZPSUYKDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c1-7-4-11(10(14)5-9(7)13)21(19,20)12-3-2-8(6-15-12)16(17)18/h2-6H,1H3.
What are the key properties of 2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine?
2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine has a molecular weight of 347.18 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-methylphenyl)sulfonyl-5-nitropyridine is sourced from PubChem (CID 2799605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).