4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole

C16H21ClN2O2S — CID 22200793

IUPAC4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole
SMILESCc1nn(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C)c1Cl
InChIInChI=1S/C16H21ClN2O2S/c1-8-9(2)11(4)16(12(5)10(8)3)22(20,21)19-14(7)15(17)13(6)18-19/h1-7H3
InChIKeyLHZYJKVDLOMDHP-UHFFFAOYSA-N
MW340.88 g/mol
LogP3.93
Rot. Bonds2

About 4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole

4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole (PubChem CID 22200793) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is 4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole
PubChem CID22200793
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Name4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole
SMILESCc1nn(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C)c1Cl
InChIInChI=1S/C16H21ClN2O2S/c1-8-9(2)11(4)16(12(5)10(8)3)22(20,21)19-14(7)15(17)13(6)18-19/h1-7H3
InChIKeyLHZYJKVDLOMDHP-UHFFFAOYSA-N
XLogP3.93
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole
CID 6469380
4-chloro-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpyrazole
CID 22200789
3-(4-chloro-3,5-dimethylpyrazol-1-yl)sulfonyl-N,N-dimethyl-1,2,4-triazole-1-sulfonamide
CID 67812587
1-(4-chlorophenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175728995
4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole
CID 22200710
4-(4-chlorophenyl)sulfanyl-1-(4-chlorophenyl)sulfonyl-3,5-dimethylpyrazole
CID 980507
3,5-dimethyl-1,4-bis[(2-methylphenyl)sulfonyl]pyrazole
CID 135066481
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
5-chloro-2,4,6-trimethylpyridazin-3-one
CID 89488103
1-(4-methoxyphenyl)sulfonyl-3,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazole
CID 175729102
4-bromo-1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole
CID 22200680
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole?
The IUPAC name of 4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole (CID 22200793) is 4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole.
What is the SMILES notation for 4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole?
The canonical SMILES for 4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole is Cc1nn(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C)c1Cl.
What is the InChIKey of 4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole?
The InChIKey is LHZYJKVDLOMDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c1-8-9(2)11(4)16(12(5)10(8)3)22(20,21)19-14(7)15(17)13(6)18-19/h1-7H3.
What are the key properties of 4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole?
4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole has a molecular weight of 340.88 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,5-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrazole is sourced from PubChem (CID 22200793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).