N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide

C12H15N3O2S2 — CID 75430261

IUPACN-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)Nc1cc(-c2sccc2C)[nH]n1
InChIInChI=1S/C12H15N3O2S2/c1-3-4-7-19(16,17)15-11-8-10(13-14-11)12-9(2)5-6-18-12/h3,5-6,8H,1,4,7H2,2H3,(H2,13,14,15)
InChIKeySFPIOOHXPTYWGA-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.76
Rot. Bonds6

About N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide

N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide (PubChem CID 75430261) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide
PubChem CID75430261
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC NameN-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)Nc1cc(-c2sccc2C)[nH]n1
InChIInChI=1S/C12H15N3O2S2/c1-3-4-7-19(16,17)15-11-8-10(13-14-11)12-9(2)5-6-18-12/h3,5-6,8H,1,4,7H2,2H3,(H2,13,14,15)
InChIKeySFPIOOHXPTYWGA-UHFFFAOYSA-N
XLogP2.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide?
The IUPAC name of N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide (CID 75430261) is N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide.
What is the SMILES notation for N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide?
The canonical SMILES for N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)Nc1cc(-c2sccc2C)[nH]n1.
What is the InChIKey of N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide?
The InChIKey is SFPIOOHXPTYWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-3-4-7-19(16,17)15-11-8-10(13-14-11)12-9(2)5-6-18-12/h3,5-6,8H,1,4,7H2,2H3,(H2,13,14,15).
What are the key properties of N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide?
N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide has a molecular weight of 297.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]but-3-ene-1-sulfonamide is sourced from PubChem (CID 75430261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).