1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole

C15H14BrNO3S — CID 3779020

IUPAC1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C15H14BrNO3S/c1-20-14-7-6-12(16)10-15(14)21(18,19)17-9-8-11-4-2-3-5-13(11)17/h2-7,10H,8-9H2,1H3
InChIKeyNGEYQSXDCKZRTN-UHFFFAOYSA-N
MW368.25 g/mol
LogP3.21
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole

1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 3779020) has the molecular formula C15H14BrNO3S and a molecular weight of 368.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
PubChem CID3779020
Molecular FormulaC15H14BrNO3S
Molecular Weight368.25 g/mol
Exact Mass366.99
IUPAC Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(Br)cc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C15H14BrNO3S/c1-20-14-7-6-12(16)10-15(14)21(18,19)17-9-8-11-4-2-3-5-13(11)17/h2-7,10H,8-9H2,1H3
InChIKeyNGEYQSXDCKZRTN-UHFFFAOYSA-N
XLogP3.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine
CID 86621011
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
methyl 1-(5-bromo-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline-5-carboxylate
CID 31757296
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 2556240
5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 62142967
phenyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate
CID 4527658
methyl 3-[(6-bromo-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxybenzoate
CID 71865336
5-methoxy-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 110714127
1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,3-dihydroindole
CID 2956327

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole (CID 3779020) is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole is COc1ccc(Br)cc1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is NGEYQSXDCKZRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3S/c1-20-14-7-6-12(16)10-15(14)21(18,19)17-9-8-11-4-2-3-5-13(11)17/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole?
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 368.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 3779020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).