N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide

C18H22N2O2S — CID 4876164

IUPACN,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide
SMILESCC1Cc2ccccc2N1Cc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H22N2O2S/c1-14-11-16-8-4-5-10-18(16)20(14)13-15-7-6-9-17(12-15)23(21,22)19(2)3/h4-10,12,14H,11,13H2,1-3H3
InChIKeyBQODYDMJEHLGFO-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.89
Rot. Bonds4

About N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide

N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide (PubChem CID 4876164) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide
PubChem CID4876164
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide
SMILESCC1Cc2ccccc2N1Cc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H22N2O2S/c1-14-11-16-8-4-5-10-18(16)20(14)13-15-7-6-9-17(12-15)23(21,22)19(2)3/h4-10,12,14H,11,13H2,1-3H3
InChIKeyBQODYDMJEHLGFO-UHFFFAOYSA-N
XLogP2.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide (CID 4876164) is N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide is CC1Cc2ccccc2N1Cc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide?
The InChIKey is BQODYDMJEHLGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-11-16-8-4-5-10-18(16)20(14)13-15-7-6-9-17(12-15)23(21,22)19(2)3/h4-10,12,14H,11,13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide?
N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 4876164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).