5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide

C21H24ClN3O4S — CID 67100868

IUPAC5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(OC)cc1OC
InChIInChI=1S/C21H24ClN3O4S/c1-5-24(6-2)30(26,27)21-13-15(19(28-3)14-20(21)29-4)17-11-12-23-25(17)18-10-8-7-9-16(18)22/h7-14H,5-6H2,1-4H3
InChIKeyMZEPWUTYLJDFFO-UHFFFAOYSA-N
MW449.96 g/mol
LogP4.24
Rot. Bonds8

About 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide

5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide (PubChem CID 67100868) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide
PubChem CID67100868
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC Name5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(OC)cc1OC
InChIInChI=1S/C21H24ClN3O4S/c1-5-24(6-2)30(26,27)21-13-15(19(28-3)14-20(21)29-4)17-11-12-23-25(17)18-10-8-7-9-16(18)22/h7-14H,5-6H2,1-4H3
InChIKeyMZEPWUTYLJDFFO-UHFFFAOYSA-N
XLogP4.24
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
CID 67100472
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide
CID 135475942
2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride
CID 59705148
N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide
CID 135424894
1-(2-chlorophenyl)-5-[2,4-dimethoxy-5-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]pyrazole
CID 67101382
N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67101023
5-[4-(2-chlorophenyl)-5-oxo-1H-1,2,4-triazol-3-yl]-2,4-dimethoxybenzenesulfonyl chloride
CID 59766891
(2-chlorophenyl)methyl 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 42070012
2-[2-(2-chlorophenyl)pyrazol-3-yl]pyrimidine
CID 56956121
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
5-amino-N,N-diethyl-2-methoxy-4-methylbenzenesulfonamide
CID 79973956
1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82220353

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide (CID 67100868) is 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(OC)cc1OC.
What is the InChIKey of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide?
The InChIKey is MZEPWUTYLJDFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-5-24(6-2)30(26,27)21-13-15(19(28-3)14-20(21)29-4)17-11-12-23-25(17)18-10-8-7-9-16(18)22/h7-14H,5-6H2,1-4H3.
What are the key properties of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide?
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide has a molecular weight of 449.96 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 67100868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).