N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide

C16H17BrN2O2S — CID 126600954

IUPACN-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Br)cc2c1CCN2Cc1ccccc1
InChIInChI=1S/C16H17BrN2O2S/c1-22(20,21)18-15-9-13(17)10-16-14(15)7-8-19(16)11-12-5-3-2-4-6-12/h2-6,9-10,18H,7-8,11H2,1H3
InChIKeyHJLIXUCSBRDSOY-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.38
Rot. Bonds4

About N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide

N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide (PubChem CID 126600954) has the molecular formula C16H17BrN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide
PubChem CID126600954
Molecular FormulaC16H17BrN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.02
IUPAC NameN-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Br)cc2c1CCN2Cc1ccccc1
InChIInChI=1S/C16H17BrN2O2S/c1-22(20,21)18-15-9-13(17)10-16-14(15)7-8-19(16)11-12-5-3-2-4-6-12/h2-6,9-10,18H,7-8,11H2,1H3
InChIKeyHJLIXUCSBRDSOY-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide?
The IUPAC name of N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide (CID 126600954) is N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide.
What is the SMILES notation for N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide?
The canonical SMILES for N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide is CS(=O)(=O)Nc1cc(Br)cc2c1CCN2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide?
The InChIKey is HJLIXUCSBRDSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2S/c1-22(20,21)18-15-9-13(17)10-16-14(15)7-8-19(16)11-12-5-3-2-4-6-12/h2-6,9-10,18H,7-8,11H2,1H3.
What are the key properties of N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide?
N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide has a molecular weight of 381.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-6-bromo-2,3-dihydroindol-4-yl)methanesulfonamide is sourced from PubChem (CID 126600954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).