2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C13H11F4NO3S2 — CID 18191910

IUPAC2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1c(F)c(F)c(S(=O)(=O)NC(C)c2cccs2)c(F)c1F
InChIInChI=1S/C13H11F4NO3S2/c1-6(7-4-3-5-22-7)18-23(19,20)13-10(16)8(14)12(21-2)9(15)11(13)17/h3-6,18H,1-2H3
InChIKeyRXLHUSSSWAUCDV-UHFFFAOYSA-N
MW369.36 g/mol
LogP3.35
Rot. Bonds5

About 2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide

2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 18191910) has the molecular formula C13H11F4NO3S2 and a molecular weight of 369.36 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID18191910
Molecular FormulaC13H11F4NO3S2
Molecular Weight369.36 g/mol
Exact Mass369.01
IUPAC Name2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1c(F)c(F)c(S(=O)(=O)NC(C)c2cccs2)c(F)c1F
InChIInChI=1S/C13H11F4NO3S2/c1-6(7-4-3-5-22-7)18-23(19,20)13-10(16)8(14)12(21-2)9(15)11(13)17/h3-6,18H,1-2H3
InChIKeyRXLHUSSSWAUCDV-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 18194304
2,3,5,6-tetramethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001325
4-bromo-2,6-dichloro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001330
2-bromo-4,5-dimethoxy-N-[(1S)-1-thiophen-2-ylethyl]benzenesulfonamide
CID 9188372
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678
5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 79897333
2,5-dimethyl-4-[[(1S)-1-thiophen-2-ylethyl]sulfamoyl]furan-3-carboxylic acid
CID 81391276
5-bromo-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 51169859
6-amino-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148005
5-amino-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60810093
1-N-(2-methylpropyl)-4-N-[(1S)-1-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 1459679
4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 65481983

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 18191910) is 2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide is COc1c(F)c(F)c(S(=O)(=O)NC(C)c2cccs2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is RXLHUSSSWAUCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO3S2/c1-6(7-4-3-5-22-7)18-23(19,20)13-10(16)8(14)12(21-2)9(15)11(13)17/h3-6,18H,1-2H3.
What are the key properties of 2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 369.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-methoxy-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 18191910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).