1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole

C10H8Cl2N2O2S — CID 22771650

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole
SMILESCc1cnn(S(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C10H8Cl2N2O2S/c1-7-5-13-14(6-7)17(15,16)10-4-8(11)2-3-9(10)12/h2-6H,1H3
InChIKeyWCGMZFJRUCPYDH-UHFFFAOYSA-N
MW291.16 g/mol
LogP2.74
Rot. Bonds2

About 1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole

1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole (PubChem CID 22771650) has the molecular formula C10H8Cl2N2O2S and a molecular weight of 291.16 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole
PubChem CID22771650
Molecular FormulaC10H8Cl2N2O2S
Molecular Weight291.16 g/mol
Exact Mass289.97
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole
SMILESCc1cnn(S(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C10H8Cl2N2O2S/c1-7-5-13-14(6-7)17(15,16)10-4-8(11)2-3-9(10)12/h2-6H,1H3
InChIKeyWCGMZFJRUCPYDH-UHFFFAOYSA-N
XLogP2.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684902
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684894
2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 45147167
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
2,5-dichloro-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide
CID 4769211
1-(2,5-dichlorophenyl)sulfonyl-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine
CID 22208359
2-(chloromethyl)-1-(2,5-dichlorophenyl)sulfonyl-3-methylpyrrolidine
CID 102788504
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 115910815
N'-(2,5-dichlorophenyl)sulfonyl-2,5-dimethylbenzenesulfonohydrazide
CID 8523597
1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 6957242
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole (CID 22771650) is 1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole is Cc1cnn(S(=O)(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole?
The InChIKey is WCGMZFJRUCPYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S/c1-7-5-13-14(6-7)17(15,16)10-4-8(11)2-3-9(10)12/h2-6H,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole?
1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole has a molecular weight of 291.16 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-4-methylpyrazole is sourced from PubChem (CID 22771650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).