N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C20H17FN2O5S3 — CID 50753525

IUPACN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCC(c3ccc(F)cc3)S(=O)(=O)c3cccs3)ccc2N1
InChIInChI=1S/C20H17FN2O5S3/c21-15-5-3-13(4-6-15)18(30(25,26)20-2-1-9-29-20)12-22-31(27,28)16-7-8-17-14(10-16)11-19(24)23-17/h1-10,18,22H,11-12H2,(H,23,24)
InChIKeyQSQANGPJQUAJFZ-UHFFFAOYSA-N
MW480.56 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 50753525) has the molecular formula C20H17FN2O5S3 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID50753525
Molecular FormulaC20H17FN2O5S3
Molecular Weight480.56 g/mol
Exact Mass480.03
IUPAC NameN-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCC(c3ccc(F)cc3)S(=O)(=O)c3cccs3)ccc2N1
InChIInChI=1S/C20H17FN2O5S3/c21-15-5-3-13(4-6-15)18(30(25,26)20-2-1-9-29-20)12-22-31(27,28)16-7-8-17-14(10-16)11-19(24)23-17/h1-10,18,22H,11-12H2,(H,23,24)
InChIKeyQSQANGPJQUAJFZ-UHFFFAOYSA-N
XLogP2.88
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-3,4-dimethylbenzenesulfonamide
CID 51449246
3-chloro-N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51449272
4-ethyl-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 50753608
2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 6624556
N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51662774
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]methanesulfonamide
CID 44649354
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]propane-1-sulfonamide
CID 44649356
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 51662831
4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 18574253
N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193831
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethoxybenzenesulfonamide
CID 44649372
N-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 51449275

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 50753525) is N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCC(c3ccc(F)cc3)S(=O)(=O)c3cccs3)ccc2N1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is QSQANGPJQUAJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5S3/c21-15-5-3-13(4-6-15)18(30(25,26)20-2-1-9-29-20)12-22-31(27,28)16-7-8-17-14(10-16)11-19(24)23-17/h1-10,18,22H,11-12H2,(H,23,24).
What are the key properties of N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 480.56 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 50753525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).