2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide

C21H16F4N2O3S2 — CID 23098353

IUPAC2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide
SMILESCC(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C21H16F4N2O3S2/c1-12(21(28)26-20-18(24)16(22)11-17(23)19(20)25)31-14-9-7-13(8-10-14)27-32(29,30)15-5-3-2-4-6-15/h2-12,27H,1H3,(H,26,28)
InChIKeyAXACPLZUXRVZPL-UHFFFAOYSA-N
MW484.50 g/mol
LogP5.16
Rot. Bonds7

About 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide (PubChem CID 23098353) has the molecular formula C21H16F4N2O3S2 and a molecular weight of 484.50 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide
PubChem CID23098353
Molecular FormulaC21H16F4N2O3S2
Molecular Weight484.50 g/mol
Exact Mass484.05
IUPAC Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide
SMILESCC(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C21H16F4N2O3S2/c1-12(21(28)26-20-18(24)16(22)11-17(23)19(20)25)31-14-9-7-13(8-10-14)27-32(29,30)15-5-3-2-4-6-15/h2-12,27H,1H3,(H,26,28)
InChIKeyAXACPLZUXRVZPL-UHFFFAOYSA-N
XLogP5.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide
CID 22776010
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 23095708
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanamide
CID 22781714
(Z)-2-methyl-4-oxo-4-[4-[(2R)-1-oxo-1-(2,3,5,6-tetrafluoroanilino)propan-2-yl]sulfanylanilino]but-2-enoic acid
CID 93267076
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 21167345
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
CID 132673976
(2R)-2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7553964
3-methoxy-N-[4-[1-oxo-1-(2,3,5,6-tetrafluoroanilino)propan-2-yl]sulfanylphenyl]benzamide
CID 23097634
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
(2S)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 126187597
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 21170325
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 21170701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide (CID 23098353) is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide is CC(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide?
The InChIKey is AXACPLZUXRVZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O3S2/c1-12(21(28)26-20-18(24)16(22)11-17(23)19(20)25)31-14-9-7-13(8-10-14)27-32(29,30)15-5-3-2-4-6-15/h2-12,27H,1H3,(H,26,28).
What are the key properties of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide?
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide has a molecular weight of 484.50 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)propanamide is sourced from PubChem (CID 23098353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).