N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide

C14H15N3O3S3 — CID 131702049

IUPACN-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)c2ccc(-c3ccsc3)s2)cn1
InChIInChI=1S/C14H15N3O3S3/c1-17-8-11(6-15-17)23(19,20)16-7-12(18)14-3-2-13(22-14)10-4-5-21-9-10/h2-6,8-9,12,16,18H,7H2,1H3
InChIKeyHQRPXWRXTWQUPL-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.22
Rot. Bonds6

About N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 131702049) has the molecular formula C14H15N3O3S3 and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID131702049
Molecular FormulaC14H15N3O3S3
Molecular Weight369.49 g/mol
Exact Mass369.03
IUPAC NameN-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)c2ccc(-c3ccsc3)s2)cn1
InChIInChI=1S/C14H15N3O3S3/c1-17-8-11(6-15-17)23(19,20)16-7-12(18)14-3-2-13(22-14)10-4-5-21-9-10/h2-6,8-9,12,16,18H,7H2,1H3
InChIKeyHQRPXWRXTWQUPL-UHFFFAOYSA-N
XLogP2.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 113351389
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 100726343
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 97416987
1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 91625719
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide
CID 97239434
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 63298486
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 99711424
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 164635798
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
CID 63765093
3-chloro-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]thiophene-2-carboxamide
CID 167853866
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 124892244

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide (CID 131702049) is N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC(O)c2ccc(-c3ccsc3)s2)cn1.
What is the InChIKey of N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is HQRPXWRXTWQUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S3/c1-17-8-11(6-15-17)23(19,20)16-7-12(18)14-3-2-13(22-14)10-4-5-21-9-10/h2-6,8-9,12,16,18H,7H2,1H3.
What are the key properties of N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 131702049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).