5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide

C13H15Cl2N3O3S — CID 55731063

IUPAC5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C13H15Cl2N3O3S/c1-7-5-10(11(21-4)6-9(7)14)17-22(19,20)12-8(2)16-18(3)13(12)15/h5-6,17H,1-4H3
InChIKeyHNNCNXCFEIAWMH-UHFFFAOYSA-N
MW364.25 g/mol
LogP3.15
Rot. Bonds4

About 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 55731063) has the molecular formula C13H15Cl2N3O3S and a molecular weight of 364.25 g/mol. Its IUPAC name is 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID55731063
Molecular FormulaC13H15Cl2N3O3S
Molecular Weight364.25 g/mol
Exact Mass363.02
IUPAC Name5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C13H15Cl2N3O3S/c1-7-5-10(11(21-4)6-9(7)14)17-22(19,20)12-8(2)16-18(3)13(12)15/h5-6,17H,1-4H3
InChIKeyHNNCNXCFEIAWMH-UHFFFAOYSA-N
XLogP3.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 146545852
N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylpyrazole-5-sulfonamide
CID 146124559
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline
CID 115884099
N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3666126
N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16644666
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 55879939
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427486
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43603679
5-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 5193021

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 55731063) is 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide is COc1cc(Cl)c(C)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is HNNCNXCFEIAWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O3S/c1-7-5-10(11(21-4)6-9(7)14)17-22(19,20)12-8(2)16-18(3)13(12)15/h5-6,17H,1-4H3.
What are the key properties of 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 364.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 55731063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).