N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide

C10H13N3O3S2 — CID 99873984

IUPACN-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@H](O)c2cccs2)cn1
InChIInChI=1S/C10H13N3O3S2/c1-13-7-8(5-11-13)18(15,16)12-6-9(14)10-3-2-4-17-10/h2-5,7,9,12,14H,6H2,1H3/t9-/m0/s1
InChIKeyQWTHRNWCBVVWLA-VIFPVBQESA-N
MW287.37 g/mol
LogP0.49
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide

N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 99873984) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID99873984
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC NameN-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@H](O)c2cccs2)cn1
InChIInChI=1S/C10H13N3O3S2/c1-13-7-8(5-11-13)18(15,16)12-6-9(14)10-3-2-4-17-10/h2-5,7,9,12,14H,6H2,1H3/t9-/m0/s1
InChIKeyQWTHRNWCBVVWLA-VIFPVBQESA-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-thiophen-3-ylpropyl)-1-methylpyrazole-4-sulfonamide
CID 75387197
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-3-yl)-2-hydroxyethyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 91630907
(R)-2-(1-methyl-4-pyrazolylsulfonylamino)-1-[p-(methylthio)phenyl]-1-ethanol
CID 97416987
[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl](1-methyl-4-pyrazolylsulfonyl)amine
CID 97417554
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 99873682
N-[(2R)-2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 129531424
N-[(2S)-2-(2-hydroxyethoxy)-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 129531894
N-[(2S)-2-hydroxy-2-methyl-3-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide
CID 164639450
N-(3-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349713
N-(2-hydroxypropyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 44061294

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide (CID 99873984) is N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC[C@H](O)c2cccs2)cn1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is QWTHRNWCBVVWLA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-13-7-8(5-11-13)18(15,16)12-6-9(14)10-3-2-4-17-10/h2-5,7,9,12,14H,6H2,1H3/t9-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide?
N-[(2S)-2-hydroxy-2-thiophen-2-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-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 99873984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).