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

C18H18ClN3O3S — CID 146545852

IUPAC5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C18H18ClN3O3S/c1-12-17(18(19)22(2)20-12)26(23,24)21-15-11-14(9-10-16(15)25-3)13-7-5-4-6-8-13/h4-11,21H,1-3H3
InChIKeyZKIHLDUMYGZXEN-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.86
Rot. Bonds5

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

5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 146545852) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID146545852
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC Name5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C18H18ClN3O3S/c1-12-17(18(19)22(2)20-12)26(23,24)21-15-11-14(9-10-16(15)25-3)13-7-5-4-6-8-13/h4-11,21H,1-3H3
InChIKeyZKIHLDUMYGZXEN-UHFFFAOYSA-N
XLogP3.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731063
N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 16677699
N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43603679
5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 55879939
N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3666126
5-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 5193021
1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea
CID 55731026
N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide
CID 53076096
5-chloro-1,3-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 25038632
3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 146545910
phenyl 5-chloro-1,3-dimethylpyrazole-4-sulfonate
CID 47315143
3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide
CID 167844669

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 146545852) is 5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is ZKIHLDUMYGZXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-12-17(18(19)22(2)20-12)26(23,24)21-15-11-14(9-10-16(15)25-3)13-7-5-4-6-8-13/h4-11,21H,1-3H3.
What are the key properties of 5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 391.88 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 146545852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).