N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C15H21N3O3S2 — CID 71806222

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C15H21N3O3S2/c1-10-14(11(2)18(3)17-10)23(20,21)16-9-15(19,12-6-7-12)13-5-4-8-22-13/h4-5,8,12,16,19H,6-7,9H2,1-3H3
InChIKeyQXPXGOMEENVZER-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.67
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71806222) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71806222
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C15H21N3O3S2/c1-10-14(11(2)18(3)17-10)23(20,21)16-9-15(19,12-6-7-12)13-5-4-8-22-13/h4-5,8,12,16,19H,6-7,9H2,1-3H3
InChIKeyQXPXGOMEENVZER-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806218
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 76147636
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-isopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 86264027
(R)-1-(1-benzothiophen-3-yl)-2-(1-isopropyl-3,5-dimethyl-4-pyrazolylsulfonylamino)-1-ethanol
CID 100726359
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 99873682
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806386
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806391
3,5-diethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 75477661
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 86264395
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-1-isopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 91630908
N-((1-(5-(1-hydroxyethyl)thiophen-2-yl)cyclopentyl)methyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 91817529
N-(2-(5-(1-hydroxyethyl)thiophen-2-yl)ethyl)-1-isopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 91817602

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71806222) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(O)(c1cccs1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is QXPXGOMEENVZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-10-14(11(2)18(3)17-10)23(20,21)16-9-15(19,12-6-7-12)13-5-4-8-22-13/h4-5,8,12,16,19H,6-7,9H2,1-3H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 355.49 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).