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

C16H18N2O2S — CID 91216007

IUPACN-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H18N2O2S/c1-21(19,20)18(13-14-7-3-2-4-8-14)17-12-11-15-9-5-6-10-16(15)17/h2-10H,11-13H2,1H3
InChIKeyRVWPKALBTWQCLU-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.43
Rot. Bonds4

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

N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide (PubChem CID 91216007) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide
PubChem CID91216007
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H18N2O2S/c1-21(19,20)18(13-14-7-3-2-4-8-14)17-12-11-15-9-5-6-10-16(15)17/h2-10H,11-13H2,1H3
InChIKeyRVWPKALBTWQCLU-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide?
The IUPAC name of N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide (CID 91216007) is N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide.
What is the SMILES notation for N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide?
The canonical SMILES for N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1)N1CCc2ccccc21.
What is the InChIKey of N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide?
The InChIKey is RVWPKALBTWQCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-21(19,20)18(13-14-7-3-2-4-8-14)17-12-11-15-9-5-6-10-16(15)17/h2-10H,11-13H2,1H3.
What are the key properties of N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide?
N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide is sourced from PubChem (CID 91216007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).