N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide

C17H19Cl2N5O2S — CID 22202990

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NS(=O)(=O)c1cnn(C)c1C
InChIInChI=1S/C17H19Cl2N5O2S/c1-10-17(22-27(25,26)16-8-20-23(4)11(16)2)12(3)24(21-10)9-13-14(18)6-5-7-15(13)19/h5-8,22H,9H2,1-4H3
InChIKeyZRIFIDXXSZSSRA-UHFFFAOYSA-N
MW428.35 g/mol
LogP3.70
Rot. Bonds5

About N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide

N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 22202990) has the molecular formula C17H19Cl2N5O2S and a molecular weight of 428.35 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID22202990
Molecular FormulaC17H19Cl2N5O2S
Molecular Weight428.35 g/mol
Exact Mass427.06
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NS(=O)(=O)c1cnn(C)c1C
InChIInChI=1S/C17H19Cl2N5O2S/c1-10-17(22-27(25,26)16-8-20-23(4)11(16)2)12(3)24(21-10)9-13-14(18)6-5-7-15(13)19/h5-8,22H,9H2,1-4H3
InChIKeyZRIFIDXXSZSSRA-UHFFFAOYSA-N
XLogP3.70
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide (CID 22202990) is N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide is Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NS(=O)(=O)c1cnn(C)c1C.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is ZRIFIDXXSZSSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O2S/c1-10-17(22-27(25,26)16-8-20-23(4)11(16)2)12(3)24(21-10)9-13-14(18)6-5-7-15(13)19/h5-8,22H,9H2,1-4H3.
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 428.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22202990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).