N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C16H23N3O5S — CID 90613554

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(C(O)CNS(=O)(=O)c2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C16H23N3O5S/c1-10-16(11(2)19(3)18-10)25(21,22)17-9-13(20)12-6-7-14(23-4)15(8-12)24-5/h6-8,13,17,20H,9H2,1-5H3
InChIKeyFWDBYJLSHDETKJ-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.07
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 90613554) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID90613554
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(C(O)CNS(=O)(=O)c2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C16H23N3O5S/c1-10-16(11(2)19(3)18-10)25(21,22)17-9-13(20)12-6-7-14(23-4)15(8-12)24-5/h6-8,13,17,20H,9H2,1-5H3
InChIKeyFWDBYJLSHDETKJ-UHFFFAOYSA-N
XLogP1.07
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,4-dimethoxybenzenesulfonamide
CID 90613527
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 47070256
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 90613477
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-difluorobenzenesulfonamide
CID 90613483
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropane-1-sulfonamide
CID 90613450
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 71806437
N-(2-chloro-2-phenylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65033281
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 99979776
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 91817723
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-nitrobenzenesulfonamide
CID 90613499
N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43603679

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 90613554) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is COc1ccc(C(O)CNS(=O)(=O)c2c(C)nn(C)c2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is FWDBYJLSHDETKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-10-16(11(2)19(3)18-10)25(21,22)17-9-13(20)12-6-7-14(23-4)15(8-12)24-5/h6-8,13,17,20H,9H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 369.44 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 90613554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).