N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide

C24H23BrN2O4S — CID 2556240

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H23BrN2O4S/c1-26(16-19-14-20(25)10-11-23(19)31-2)24(28)18-7-5-8-21(15-18)32(29,30)27-13-12-17-6-3-4-9-22(17)27/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyOIZVYTVOWSETMO-UHFFFAOYSA-N
MW515.43 g/mol
LogP4.48
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide

N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide (PubChem CID 2556240) has the molecular formula C24H23BrN2O4S and a molecular weight of 515.43 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
PubChem CID2556240
Molecular FormulaC24H23BrN2O4S
Molecular Weight515.43 g/mol
Exact Mass514.06
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H23BrN2O4S/c1-26(16-19-14-20(25)10-11-23(19)31-2)24(28)18-7-5-8-21(15-18)32(29,30)27-13-12-17-6-3-4-9-22(17)27/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyOIZVYTVOWSETMO-UHFFFAOYSA-N
XLogP4.48
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 31916684
3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38072835
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415750
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 56504051
N-(4-bromo-2-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
CID 60575146
(4-methoxyphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8881484
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 134057952
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55993117
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 60938045
[2-(3-bromophenyl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 23960074

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide (CID 2556240) is N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide is COc1ccc(Br)cc1CN(C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide?
The InChIKey is OIZVYTVOWSETMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O4S/c1-26(16-19-14-20(25)10-11-23(19)31-2)24(28)18-7-5-8-21(15-18)32(29,30)27-13-12-17-6-3-4-9-22(17)27/h3-11,14-15H,12-13,16H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide?
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide has a molecular weight of 515.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide is sourced from PubChem (CID 2556240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).