5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine

C14H14BrN3O2S — CID 62142967

IUPAC5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
SMILESCNc1ncc(Br)cc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C14H14BrN3O2S/c1-16-14-13(8-11(15)9-17-14)21(19,20)18-7-6-10-4-2-3-5-12(10)18/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyIDYWHGCJTUHUKM-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.64
Rot. Bonds3

About 5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine

5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine (PubChem CID 62142967) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is 5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
PubChem CID62142967
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC Name5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
SMILESCNc1ncc(Br)cc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C14H14BrN3O2S/c1-16-14-13(8-11(15)9-17-14)21(19,20)18-7-6-10-4-2-3-5-12(10)18/h2-5,8-9H,6-7H2,1H3,(H,16,17)
InChIKeyIDYWHGCJTUHUKM-UHFFFAOYSA-N
XLogP2.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine
CID 62149891
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 83022745
5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62150356
5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152979
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
2-bromo-5-(2,3-dihydroindol-1-ylsulfonyl)-4-fluoroaniline
CID 116529391
1-[(5-bromo-3-pyridinyl)sulfonyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 62045598
5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958910
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 64582955
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine (CID 62142967) is 5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine is CNc1ncc(Br)cc1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine?
The InChIKey is IDYWHGCJTUHUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c1-16-14-13(8-11(15)9-17-14)21(19,20)18-7-6-10-4-2-3-5-12(10)18/h2-5,8-9H,6-7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine?
5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine has a molecular weight of 368.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 62142967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).