N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide

C20H23N3O4S — CID 53076096

IUPACN-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)c1
InChIInChI=1S/C20H23N3O4S/c1-13-6-8-16(9-7-13)23-15(3)20(14(2)21-23)28(24,25)22-18-12-17(26-4)10-11-19(18)27-5/h6-12,22H,1-5H3
InChIKeyMQHFCDIHIUYRIC-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.62
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide

N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide (PubChem CID 53076096) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide
PubChem CID53076096
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)c1
InChIInChI=1S/C20H23N3O4S/c1-13-6-8-16(9-7-13)23-15(3)20(14(2)21-23)28(24,25)22-18-12-17(26-4)10-11-19(18)27-5/h6-12,22H,1-5H3
InChIKeyMQHFCDIHIUYRIC-UHFFFAOYSA-N
XLogP3.62
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17376527
N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43603679
N-(2,5-dimethylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773697
N-(2-bromo-4-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773989
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 35281376
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-4-sulfonamide
CID 19683137
1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide
CID 63665098
5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 146545852
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 17015721

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide (CID 53076096) is N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2c(C)nn(-c3ccc(C)cc3)c2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide?
The InChIKey is MQHFCDIHIUYRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-13-6-8-16(9-7-13)23-15(3)20(14(2)21-23)28(24,25)22-18-12-17(26-4)10-11-19(18)27-5/h6-12,22H,1-5H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide?
N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide has a molecular weight of 401.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3,5-dimethyl-1-(4-methylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 53076096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).