5-Chloro-2-(4-fluorophenoxy)-N-{(1S)-1-[4-({[(3-methoxyphenyl)sulfonyl]amino}carbonyl)phenyl]ethyl}nicotinamide

HCID 58905321
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Basic information

Standard SMILES
COc1cccc(S(=O)(=O)NC(=O)c2ccc([C@H](C)NC(=O)c3cc(Cl)cnc3Oc3ccc(F)cc3)cc2)c1
InChIKey
JNFMKFOERSIABO-KRWDZBQOSA-N
Molecular formula
C28H23ClFN3O6S
Average molar mass
584 g/mol
Monoisotopic mass
583.0980125

Names & identifiers

Preferred name
5-Chloro-2-(4-fluorophenoxy)-N-{(1S)-1-[4-({[(3-methoxyphenyl)sulfonyl]amino}carbonyl)phenyl]ethyl}nicotinamide
IUPAC
5-chloro-2-(4-fluorophenoxy)-N-[(1S)-1-[4-[(3-methoxyphenyl)sulfonylcarbamoyl]phenyl]ethyl]pyridine-3-carboxamide

Names & synonyms

SCHEMBL5363482JNFMKFOERSIABO-KRWDZBQOSA-N5-CHLORO-2-(4-FLUOROPHENOXY)-N-{(1S)-1-[4-({[(3-METHOXYPHENYL)SULFONYL]AMINO}CARBONYL)PHENYL]ETHYL}NIC OTINAMIDE5-CHLORO-2-(4-FLUOROPHENOXY)-N-{(1S)-1-[4-({[(3-METHOXYPHENYL)SULFONYL]AMINO}CARBONYL)PHENYL]ETHYL}NICOTINAMIDE

Database identifiers

PubChem CID
58905321

Properties

Computed structural properties

XLogP
5
Topological polar surface area
132 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
40

Related reactions

1 records
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Compound notes

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