N-[[(4-chlorophenyl)amino]carbonyl]-5-methoxy-2-thiophenesulfonamide

HCID 9884635

Notes Reactions

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Basic information

CAS: 140646-39-5
Standard SMILES: COc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)s1
InChIKey: OPZSZRMAPJKVRU-UHFFFAOYSA-N
Molecular formula: C12H11ClN2O4S2
Average molar mass: 346.8 g/mol
Monoisotopic mass: 345.9848769

Names & identifiers

Preferred name: N-[[(4-chlorophenyl)amino]carbonyl]-5-methoxy-2-thiophenesulfonamide
IUPAC: 1-(4-chlorophenyl)-3-(5-methoxythiophen-2-yl)sulfonylurea

Names & synonyms

N-[[(4-chlorophenyl)amino]carbonyl]-5-methoxy-2-thiophenesulfonamideCHEMBL102129SCHEMBL9424446OPZSZRMAPJKVRU-UHFFFAOYSA-NDTXSID401159767140646-39-5N-[(4-Chlorophenyl)carbamoyl]-5-methoxythiophene-2-sulfonamide

Database identifiers

CAS: 140646-39-5
PubChem CID: 9884635
DTXSID: DTXSID401159767
ChEMBL: CHEMBL102129
Nikkaji: J493.309E

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 121 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 460

Related reactions

2 records

New reaction record

HRID 815619As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1464123As productuspto-grants-1994_04

Compound notes

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