N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide

C18H20N2O2S — CID 20751562

IUPACN-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Cn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-23(21,22)19-17-10-8-15(9-11-17)13-20-14(2)12-16-6-4-5-7-18(16)20/h4-12,19H,3,13H2,1-2H3
InChIKeyYLJCTBCFSPPAMX-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.76
Rot. Bonds5

About N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide

N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide (PubChem CID 20751562) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide
PubChem CID20751562
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Cn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-23(21,22)19-17-10-8-15(9-11-17)13-20-14(2)12-16-6-4-5-7-18(16)20/h4-12,19H,3,13H2,1-2H3
InChIKeyYLJCTBCFSPPAMX-UHFFFAOYSA-N
XLogP3.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-2-methylindole
CID 63812577
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
1-[(2-chlorophenyl)methyl]-2-methylindole
CID 4050112
1-[[4-(methylsulfamoyl)phenyl]methyl]indole-2-carboxylic acid
CID 67665431
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole
CID 114859479
1-[(4-chlorophenyl)methyl]-N,2-dimethylindol-5-amine
CID 141347657
N-[4-(ethylsulfonylamino)phenyl]-2-naphthalen-2-ylacetamide
CID 47067033
2-chloro-1-[(4-ethylphenyl)methyl]indole
CID 90911946
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
1-[(2,6-difluorophenyl)methyl]-2-methylindole
CID 114934250
1-benzyl-6-chloro-2-methylindole
CID 121404424
1-[(2,3-dichlorophenyl)methyl]-2-methylindole
CID 107310123

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide (CID 20751562) is N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Cn2c(C)cc3ccccc32)cc1.
What is the InChIKey of N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide?
The InChIKey is YLJCTBCFSPPAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-23(21,22)19-17-10-8-15(9-11-17)13-20-14(2)12-16-6-4-5-7-18(16)20/h4-12,19H,3,13H2,1-2H3.
What are the key properties of N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide?
N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylindol-1-yl)methyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 20751562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).