N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide

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Basic information

CAS: 1005697-70-0
Standard SMILES: Cc1cccc(Cn2ccc(NS(=O)(=O)c3cccs3)n2)c1
InChIKey: CGVZKJJBYAHHQU-UHFFFAOYSA-N
Molecular formula: C15H15N3O2S2
Average molar mass: 333.4 g/mol
Monoisotopic mass: 333.06056908

Names & identifiers

Preferred name: N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
IUPAC: N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-sulfonamide

Names & synonyms

N-{1-[(3-Methylphenyl)methyl]-1H-pyrazol-3-yl}thiophene-2-sulfonamideDTXSID701158118N-[1-(3-methylbenzyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamideSTL403927AKOS0037548381005697-70-0ST067959{1-[(3-methylphenyl)methyl]pyrazol-3-yl}(2-thienylsulfonyl)amineN-[1-[(3-Methylphenyl)methyl]-1H-pyrazol-3-yl]-2-thiophenesulfonamide

Database identifiers

CAS: 1005697-70-0
PubChem CID: 4776261
DTXSID: DTXSID701158118

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 101 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 466

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Compound notes

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