1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide

C18H19BrN2O5S — CID 46374657

IUPAC1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)cc1OC
InChIInChI=1S/C18H19BrN2O5S/c1-11(22)21-7-6-12-8-14(19)18(10-15(12)21)27(23,24)20-13-4-5-16(25-2)17(9-13)26-3/h4-5,8-10,20H,6-7H2,1-3H3
InChIKeyDZEBQNGGXZUDSX-UHFFFAOYSA-N
MW455.33 g/mol
LogP3.18
Rot. Bonds5

About 1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide

1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 46374657) has the molecular formula C18H19BrN2O5S and a molecular weight of 455.33 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID46374657
Molecular FormulaC18H19BrN2O5S
Molecular Weight455.33 g/mol
Exact Mass454.02
IUPAC Name1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)cc1OC
InChIInChI=1S/C18H19BrN2O5S/c1-11(22)21-7-6-12-8-14(19)18(10-15(12)21)27(23,24)20-13-4-5-16(25-2)17(9-13)26-3/h4-5,8-10,20H,6-7H2,1-3H3
InChIKeyDZEBQNGGXZUDSX-UHFFFAOYSA-N
XLogP3.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]benzoate
CID 46504139
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
CID 46503628
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
1-(cyclopropanecarbonyl)-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15990690
methyl 2-[(1R)-2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 98211269
methyl N-[4-[(1-acetyl-2,3-dihydroindol-6-yl)sulfamoyl]phenyl]carbamate
CID 91624470
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 7498773
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-chlorobenzenesulfonamide
CID 42388549
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-5-chloro-2-methoxy-4-methylbenzenesulfonamide
CID 171343854
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
CID 42388553
5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505043

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide (CID 46374657) is 1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide is COc1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)cc1OC.
What is the InChIKey of 1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is DZEBQNGGXZUDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O5S/c1-11(22)21-7-6-12-8-14(19)18(10-15(12)21)27(23,24)20-13-4-5-16(25-2)17(9-13)26-3/h4-5,8-10,20H,6-7H2,1-3H3.
What are the key properties of 1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide?
1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 455.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 46374657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).