1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide

C15H15BrN2O2S — CID 17398357

IUPAC1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccccc1Br
InChIInChI=1S/C15H15BrN2O2S/c16-14-4-2-1-3-12(14)10-18-8-7-11-9-13(21(17,19)20)5-6-15(11)18/h1-6,9H,7-8,10H2,(H2,17,19,20)
InChIKeyULCAFLBMHRXCDY-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.66
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide

1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 17398357) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID17398357
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccccc1Br
InChIInChI=1S/C15H15BrN2O2S/c16-14-4-2-1-3-12(14)10-18-8-7-11-9-13(21(17,19)20)5-6-15(11)18/h1-6,9H,7-8,10H2,(H2,17,19,20)
InChIKeyULCAFLBMHRXCDY-UHFFFAOYSA-N
XLogP2.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-4-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 75386054
1-[(4-phenylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913237
1-[(2-methyl-3-nitrophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 60505069
1-[(2,6-dichlorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 36943943
1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 71943822
(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918768
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 25382319
1-[(2-bromophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83212879
1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide
CID 28917333
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913690
1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 146138470
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide
CID 17407716

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 17398357) is 1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ULCAFLBMHRXCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c16-14-4-2-1-3-12(14)10-18-8-7-11-9-13(21(17,19)20)5-6-15(11)18/h1-6,9H,7-8,10H2,(H2,17,19,20).
What are the key properties of 1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 367.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 17398357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).