N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide

C19H27N3O4S — CID 75400465

IUPACN-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESCC(C)CN(CC(O)c1ccccc1)S(=O)(=O)c1cnn(C2CCOC2)c1
InChIInChI=1S/C19H27N3O4S/c1-15(2)11-21(13-19(23)16-6-4-3-5-7-16)27(24,25)18-10-20-22(12-18)17-8-9-26-14-17/h3-7,10,12,15,17,19,23H,8-9,11,13-14H2,1-2H3
InChIKeyLWFGZQWSYIZAJX-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.22
Rot. Bonds8

About N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide

N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 75400465) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
PubChem CID75400465
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESCC(C)CN(CC(O)c1ccccc1)S(=O)(=O)c1cnn(C2CCOC2)c1
InChIInChI=1S/C19H27N3O4S/c1-15(2)11-21(13-19(23)16-6-4-3-5-7-16)27(24,25)18-10-20-22(12-18)17-8-9-26-14-17/h3-7,10,12,15,17,19,23H,8-9,11,13-14H2,1-2H3
InChIKeyLWFGZQWSYIZAJX-UHFFFAOYSA-N
XLogP2.22
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide (CID 75400465) is N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide is CC(C)CN(CC(O)c1ccccc1)S(=O)(=O)c1cnn(C2CCOC2)c1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is LWFGZQWSYIZAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-15(2)11-21(13-19(23)16-6-4-3-5-7-16)27(24,25)18-10-20-22(12-18)17-8-9-26-14-17/h3-7,10,12,15,17,19,23H,8-9,11,13-14H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-N-(2-methylpropyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75400465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).