3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide

C16H21N3O3S — CID 110753063

IUPAC3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CC1CCCO1)c1ccccc1
InChIInChI=1S/C16H21N3O3S/c1-12-16(13(2)18-17-12)23(20,21)19(11-15-9-6-10-22-15)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,17,18)
InChIKeyFIILNPROMUVOTR-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.40
Rot. Bonds5

About 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide (PubChem CID 110753063) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide
PubChem CID110753063
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CC1CCCO1)c1ccccc1
InChIInChI=1S/C16H21N3O3S/c1-12-16(13(2)18-17-12)23(20,21)19(11-15-9-6-10-22-15)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,17,18)
InChIKeyFIILNPROMUVOTR-UHFFFAOYSA-N
XLogP2.40
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide
CID 110753053
3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112981267
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 110335607
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 74246165
N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 8003484
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide
CID 43402494
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
N-(2,3-dihydro-1H-inden-1-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43420289
N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201
N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide
CID 51127502
N-(4-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 110360875

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide (CID 110753063) is 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(CC1CCCO1)c1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide?
The InChIKey is FIILNPROMUVOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-12-16(13(2)18-17-12)23(20,21)19(11-15-9-6-10-22-15)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110753063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).