4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide

C18H20N2O2S — CID 110427789

IUPAC4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccc3[nH]c(C)cc3c2)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-14-4-7-17(8-5-14)23(21,22)19-12-15-6-9-18-16(11-15)10-13(2)20-18/h4-11,19-20H,3,12H2,1-2H3
InChIKeyBOURLJHPPDLCQC-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.52
Rot. Bonds5

About 4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide

4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide (PubChem CID 110427789) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide
PubChem CID110427789
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccc3[nH]c(C)cc3c2)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-14-4-7-17(8-5-14)23(21,22)19-12-15-6-9-18-16(11-15)10-13(2)20-18/h4-11,19-20H,3,12H2,1-2H3
InChIKeyBOURLJHPPDLCQC-UHFFFAOYSA-N
XLogP3.52
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427842
N-[(2-methyl-1H-indol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110427813
1-(4-chlorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]methanesulfonamide
CID 110604340
N-[5-[(2-methyl-1H-indol-5-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110427837
4-(bromomethyl)-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106900636
4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 25046521
2-(2-fluorophenyl)-N-[(2-methyl-1H-indol-5-yl)methyl]ethanesulfonamide
CID 110618898
N-(1,3-benzodioxol-5-ylmethyl)-4-ethylbenzenesulfonamide
CID 3751192
N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 106900182
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427929
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide
CID 121122937

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide (CID 110427789) is 4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2ccc3[nH]c(C)cc3c2)cc1.
What is the InChIKey of 4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide?
The InChIKey is BOURLJHPPDLCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-14-4-7-17(8-5-14)23(21,22)19-12-15-6-9-18-16(11-15)10-13(2)20-18/h4-11,19-20H,3,12H2,1-2H3.
What are the key properties of 4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide?
4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2-methyl-1H-indol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110427789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).