1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C25H26FN3O6S2 — CID 43898779

IUPAC1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H26FN3O6S2/c1-27(2)36(31,32)23-12-13-24-18(16-23)14-15-28(24)25(30)17-29(20-6-4-19(26)5-7-20)37(33,34)22-10-8-21(35-3)9-11-22/h4-13,16H,14-15,17H2,1-3H3
InChIKeyWUJIYIUQVGCXIW-UHFFFAOYSA-N
MW547.63 g/mol
LogP2.87
Rot. Bonds8

About 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 43898779) has the molecular formula C25H26FN3O6S2 and a molecular weight of 547.63 g/mol. Its IUPAC name is 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID43898779
Molecular FormulaC25H26FN3O6S2
Molecular Weight547.63 g/mol
Exact Mass547.12
IUPAC Name1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H26FN3O6S2/c1-27(2)36(31,32)23-12-13-24-18(16-23)14-15-28(24)25(30)17-29(20-6-4-19(26)5-7-20)37(33,34)22-10-8-21(35-3)9-11-22/h4-13,16H,14-15,17H2,1-3H3
InChIKeyWUJIYIUQVGCXIW-UHFFFAOYSA-N
XLogP2.87
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.63
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43897410
1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892143
4-fluoro-N-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1296664
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43900934
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide
CID 2230154
1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892289
2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide
CID 126346209
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769517
4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 30273158
N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26765658
N,N-diethyl-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 3971622
3-(4-methoxy-N-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]anilino)propanamide
CID 18207241

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 43898779) is 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WUJIYIUQVGCXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O6S2/c1-27(2)36(31,32)23-12-13-24-18(16-23)14-15-28(24)25(30)17-29(20-6-4-19(26)5-7-20)37(33,34)22-10-8-21(35-3)9-11-22/h4-13,16H,14-15,17H2,1-3H3.
What are the key properties of 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 547.63 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 43898779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).