N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide

C10H13N3O3S2 — CID 113351389

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)c2ccsc2)cn1
InChIInChI=1S/C10H13N3O3S2/c1-13-6-9(4-11-13)18(15,16)12-5-10(14)8-2-3-17-7-8/h2-4,6-7,10,12,14H,5H2,1H3
InChIKeyMVVXBBMKRIVRKE-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.49
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 113351389) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
PubChem CID113351389
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)c2ccsc2)cn1
InChIInChI=1S/C10H13N3O3S2/c1-13-6-9(4-11-13)18(15,16)12-5-10(14)8-2-3-17-7-8/h2-4,6-7,10,12,14H,5H2,1H3
InChIKeyMVVXBBMKRIVRKE-UHFFFAOYSA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 131702049
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 97416987
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114188652
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 63298486
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 100726343
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide
CID 106436200
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide
CID 97239434
4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 99711424
3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 103916544

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide (CID 113351389) is N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC(O)c2ccsc2)cn1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is MVVXBBMKRIVRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-13-6-9(4-11-13)18(15,16)12-5-10(14)8-2-3-17-7-8/h2-4,6-7,10,12,14H,5H2,1H3.
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 113351389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).