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

C16H22N4O3S — CID 112981267

IUPAC3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C16H22N4O3S/c1-11-16(12(2)19-18-11)24(21,22)20-14-7-5-13(6-8-14)17-10-15-4-3-9-23-15/h5-8,15,17,20H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyWJZWFUKNMUHXSF-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.42
Rot. Bonds6

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

3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 112981267) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID112981267
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C16H22N4O3S/c1-11-16(12(2)19-18-11)24(21,22)20-14-7-5-13(6-8-14)17-10-15-4-3-9-23-15/h5-8,15,17,20H,3-4,9-10H2,1-2H3,(H,18,19)
InChIKeyWJZWFUKNMUHXSF-UHFFFAOYSA-N
XLogP2.42
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981233
3,5-dimethyl-N-[4-(3-methylbutylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112985171
4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981235
3,5-dimethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]-1H-pyrazole-4-sulfonamide
CID 112982208
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 110335607
3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide
CID 110753063
2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981250
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 43454039
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683816
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112983433

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide (CID 112981267) is 3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NCC2CCCO2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is WJZWFUKNMUHXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-11-16(12(2)19-18-11)24(21,22)20-14-7-5-13(6-8-14)17-10-15-4-3-9-23-15/h5-8,15,17,20H,3-4,9-10H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 350.44 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 112981267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).