N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C16H23N3O5S — CID 110291304

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(C(O)CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1OC
InChIInChI=1S/C16H23N3O5S/c1-10-16(11(2)18-17-10)25(21,22)19(3)9-13(20)12-6-7-14(23-4)15(8-12)24-5/h6-8,13,20H,9H2,1-5H3,(H,17,18)
InChIKeyQUFKOEMVXLLVCR-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.40
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110291304) 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]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110291304
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(C(O)CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1OC
InChIInChI=1S/C16H23N3O5S/c1-10-16(11(2)18-17-10)25(21,22)19(3)9-13(20)12-6-7-14(23-4)15(8-12)24-5/h6-8,13,20H,9H2,1-5H3,(H,17,18)
InChIKeyQUFKOEMVXLLVCR-UHFFFAOYSA-N
XLogP1.40
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide
CID 110291277
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethylbenzenesulfonamide
CID 110291307
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol
CID 79845125
N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
CID 20858817
N-(2-bromopropyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 80668082
4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene
CID 110629765
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
CID 63699776
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574262
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (CID 110291304) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is COc1ccc(C(O)CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QUFKOEMVXLLVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-10-16(11(2)18-17-10)25(21,22)19(3)9-13(20)12-6-7-14(23-4)15(8-12)24-5/h6-8,13,20H,9H2,1-5H3,(H,17,18).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 369.44 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110291304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).