1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C24H24BrN3O5S2 — CID 43892289

IUPAC1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24BrN3O5S2/c1-26(2)34(30,31)22-11-12-23-18(15-22)13-14-27(23)24(29)17-28(20-8-6-7-19(25)16-20)35(32,33)21-9-4-3-5-10-21/h3-12,15-16H,13-14,17H2,1-2H3
InChIKeyPYVXUVUWRARTOO-UHFFFAOYSA-N
MW578.51 g/mol
LogP3.48
Rot. Bonds7

About 1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 43892289) has the molecular formula C24H24BrN3O5S2 and a molecular weight of 578.51 g/mol. Its IUPAC name is 1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID43892289
Molecular FormulaC24H24BrN3O5S2
Molecular Weight578.51 g/mol
Exact Mass577.03
IUPAC Name1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24BrN3O5S2/c1-26(2)34(30,31)22-11-12-23-18(15-22)13-14-27(23)24(29)17-28(20-8-6-7-19(25)16-20)35(32,33)21-9-4-3-5-10-21/h3-12,15-16H,13-14,17H2,1-2H3
InChIKeyPYVXUVUWRARTOO-UHFFFAOYSA-N
XLogP3.48
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892143
1-[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43893462
1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43898779
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2357612
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
2-[N-(benzenesulfonyl)-3-bromoanilino]acetate
CID 7308169
4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 30273158
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43900934
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43897410
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 29410978
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
1-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 30222545

Frequently Asked Questions

What is the IUPAC name of 1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 43892289) is 1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is PYVXUVUWRARTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O5S2/c1-26(2)34(30,31)22-11-12-23-18(15-22)13-14-27(23)24(29)17-28(20-8-6-7-19(25)16-20)35(32,33)21-9-4-3-5-10-21/h3-12,15-16H,13-14,17H2,1-2H3.
What are the key properties of 1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 578.51 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 43892289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).