N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide

C20H23N3O4S — CID 22202423

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3)c2C)cc1OC
InChIInChI=1S/C20H23N3O4S/c1-14-20(15(2)23(21-14)13-16-8-6-5-7-9-16)22-28(24,25)17-10-11-18(26-3)19(12-17)27-4/h5-12,22H,13H2,1-4H3
InChIKeyPIZUWTKJOLPBFB-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.37
Rot. Bonds7

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 22202423) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID22202423
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3)c2C)cc1OC
InChIInChI=1S/C20H23N3O4S/c1-14-20(15(2)23(21-14)13-16-8-6-5-7-9-16)22-28(24,25)17-10-11-18(26-3)19(12-17)27-4/h5-12,22H,13H2,1-4H3
InChIKeyPIZUWTKJOLPBFB-UHFFFAOYSA-N
XLogP3.37
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-chlorobenzenesulfonamide
CID 22202405
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzenesulfonamide
CID 22206332
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzenesulfonamide
CID 22205539
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22206327
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-nitrobenzenesulfonamide
CID 22206344
N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzenesulfonamide
CID 22203103
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzenesulfonamide
CID 22202959
N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 22434419
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22202446
1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 4878197
4-bromo-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
CID 22205529
3,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771737

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide (CID 22202423) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3)c2C)cc1OC.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is PIZUWTKJOLPBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-14-20(15(2)23(21-14)13-16-8-6-5-7-9-16)22-28(24,25)17-10-11-18(26-3)19(12-17)27-4/h5-12,22H,13H2,1-4H3.
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22202423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).