1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C26H28FN3O7S2 — CID 43900934

IUPAC1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c2ccccc2F)cc1OC
InChIInChI=1S/C26H28FN3O7S2/c1-28(2)38(32,33)19-9-11-22-18(15-19)13-14-29(22)26(31)17-30(23-8-6-5-7-21(23)27)39(34,35)20-10-12-24(36-3)25(16-20)37-4/h5-12,15-16H,13-14,17H2,1-4H3
InChIKeyTVKUPPQJLOPCOG-UHFFFAOYSA-N
MW577.66 g/mol
LogP2.88
Rot. Bonds9

About 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 43900934) has the molecular formula C26H28FN3O7S2 and a molecular weight of 577.66 g/mol. Its IUPAC name is 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID43900934
Molecular FormulaC26H28FN3O7S2
Molecular Weight577.66 g/mol
Exact Mass577.14
IUPAC Name1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)c2ccccc2F)cc1OC
InChIInChI=1S/C26H28FN3O7S2/c1-28(2)38(32,33)19-9-11-22-18(15-19)13-14-29(22)26(31)17-30(23-8-6-5-7-21(23)27)39(34,35)20-10-12-24(36-3)25(16-20)37-4/h5-12,15-16H,13-14,17H2,1-4H3
InChIKeyTVKUPPQJLOPCOG-UHFFFAOYSA-N
XLogP2.88
TPSA113.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.66
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43898779
1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43893462
1-[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43897997
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]piperidine-4-carboxamide
CID 30267622
N,N-dibenzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43899402
1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892289
1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892143
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiophene-2-sulfonamide
CID 30273131
1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 30222545
2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100543852
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 30272123

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 43900934) is 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)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)c2ccccc2F)cc1OC.
What is the InChIKey of 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is TVKUPPQJLOPCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O7S2/c1-28(2)38(32,33)19-9-11-22-18(15-19)13-14-29(22)26(31)17-30(23-8-6-5-7-21(23)27)39(34,35)20-10-12-24(36-3)25(16-20)37-4/h5-12,15-16H,13-14,17H2,1-4H3.
What are the key properties of 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 577.66 g/mol, XLogP of 2.88, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 43900934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).