1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide

C19H21N3O3S — CID 8822238

IUPAC1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-14-19(15(2)22(3)20-14)26(23,24)21-17-9-11-18(12-10-17)25-13-16-7-5-4-6-8-16/h4-12,21H,13H2,1-3H3
InChIKeyIBOUHGPDSBTDNU-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.42
Rot. Bonds6

About 1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide (PubChem CID 8822238) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
PubChem CID8822238
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-14-19(15(2)22(3)20-14)26(23,24)21-17-9-11-18(12-10-17)25-13-16-7-5-4-6-8-16/h4-12,21H,13H2,1-3H3
InChIKeyIBOUHGPDSBTDNU-UHFFFAOYSA-N
XLogP3.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 17375979
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide
CID 113225231
N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823361
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254
1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide
CID 122317325
N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203126
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19683754
2-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369229
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide (CID 8822238) is 1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide?
The InChIKey is IBOUHGPDSBTDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14-19(15(2)22(3)20-14)26(23,24)21-17-9-11-18(12-10-17)25-13-16-7-5-4-6-8-16/h4-12,21H,13H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 8822238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).