5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide

C18H19BrN2O4S — CID 52770474

IUPAC5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19BrN2O4S/c1-20(2)26(23,24)17-11-13(4-7-16(17)25-3)18(22)21-9-8-12-10-14(19)5-6-15(12)21/h4-7,10-11H,8-9H2,1-3H3
InChIKeyYBCYYXSBWZCVGB-UHFFFAOYSA-N
MW439.33 g/mol
LogP2.91
Rot. Bonds4

About 5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide

5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 52770474) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is 5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide
PubChem CID52770474
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC Name5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H19BrN2O4S/c1-20(2)26(23,24)17-11-13(4-7-16(17)25-3)18(22)21-9-8-12-10-14(19)5-6-15(12)21/h4-7,10-11H,8-9H2,1-3H3
InChIKeyYBCYYXSBWZCVGB-UHFFFAOYSA-N
XLogP2.91
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]-2,3-dihydroindole-5-carboxylate
CID 55514916
N-benzyl-5-(2,3-dihydroindole-1-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 26290496
2-methoxy-N,N-dimethyl-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 17027735
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 55916686
2-methoxy-N,N-dimethyl-5-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzenesulfonamide
CID 31920606
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
(5-bromo-2,3-dihydroindol-1-yl)-(3,4-dichlorophenyl)methanone
CID 47444577
[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 26290539
5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 55890354
2-methoxy-5-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylbenzenesulfonamide
CID 34363466
methyl 3-[(6-bromo-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxybenzoate
CID 71865336
(5-bromo-2,3-dihydroindol-1-yl)-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 100799676

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide (CID 52770474) is 5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide is COc1ccc(C(=O)N2CCc3cc(Br)ccc32)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is YBCYYXSBWZCVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c1-20(2)26(23,24)17-11-13(4-7-16(17)25-3)18(22)21-9-8-12-10-14(19)5-6-15(12)21/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide?
5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 439.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2,3-dihydroindole-1-carbonyl)-2-methoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 52770474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).