4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

C20H25N3O2S — CID 119110260

IUPAC4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C20H25N3O2S/c1-15(2)23(3)26(24,25)18-9-7-16(8-10-18)13-21-14-17-5-4-6-20-19(17)11-12-22-20/h4-12,15,21-22H,13-14H2,1-3H3
InChIKeyVICWOFIYBOILIL-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.49
Rot. Bonds7

About 4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 119110260) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID119110260
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C20H25N3O2S/c1-15(2)23(3)26(24,25)18-9-7-16(8-10-18)13-21-14-17-5-4-6-20-19(17)11-12-22-20/h4-12,15,21-22H,13-14H2,1-3H3
InChIKeyVICWOFIYBOILIL-UHFFFAOYSA-N
XLogP3.49
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 119110268
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea
CID 119110190
N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
CID 119109918
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid
CID 122030686
N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine
CID 119110220
1-[4-[(1H-indol-4-ylmethylamino)methyl]-2-methoxyphenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 45201825
N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 119109923
1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
CID 110928680
N-ethyl-2-(1H-indol-4-ylmethylamino)-N-methylacetamide
CID 104923370

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 119110260) is 4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1ccc(CNCc2cccc3[nH]ccc23)cc1.
What is the InChIKey of 4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VICWOFIYBOILIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15(2)23(3)26(24,25)18-9-7-16(8-10-18)13-21-14-17-5-4-6-20-19(17)11-12-22-20/h4-12,15,21-22H,13-14H2,1-3H3.
What are the key properties of 4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 371.51 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 119110260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).