5-Chloro-2-[2-[[3-[(3-fluorosulfonylphenyl)carbamoylamino]phenyl]methylamino]-2-oxoethoxy]benzoic acid

HCID 309682

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Basic information

CAS: 20167-15-1
Standard SMILES: O=C(COc1ccc(Cl)cc1C(=O)O)NCc1cccc(NC(=O)Nc2cccc(S(=O)(=O)F)c2)c1
InChIKey: DTBACPFZZWFFSF-UHFFFAOYSA-N
Molecular formula: C23H19ClFN3O7S
Average molar mass: 535.9 g/mol
Monoisotopic mass: 535.061627

Names & identifiers

Preferred name: 5-Chloro-2-[2-[[3-[(3-fluorosulfonylphenyl)carbamoylamino]phenyl]methylamino]-2-oxoethoxy]benzoic acid
IUPAC: 5-chloro-2-[2-[[3-[(3-fluorosulfonylphenyl)carbamoylamino]phenyl]methylamino]-2-oxoethoxy]benzoic acid

Names & synonyms

20167-15-1NSC2120465-chloro-2-[2-[[3-[(3-fluorosulfonylphenyl)carbamoylamino]phenyl]methylamino]-2-oxoethoxy]benzoic acidDTXSID80309467NSC-2120465-Chloro-2-[2-({[3-({[3-(fluorosulfonyl)phenyl]carbamoyl}amino)phenyl]methyl}amino)-2-oxoethoxy]benzoic acid

Database identifiers

CAS: 20167-15-1
PubChem CID: 309682
DTXSID: DTXSID80309467

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 159 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 36
Formal charge: 0
Complexity: 887

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