N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide

C20H24N2O4S — CID 113084136

IUPACN-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)c2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C20H24N2O4S/c1-20(2,16-12-21-17-8-6-5-7-15(16)17)13-22-27(23,24)19-10-9-14(25-3)11-18(19)26-4/h5-12,21-22H,13H2,1-4H3
InChIKeyPZEOFXGZLYOFMK-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.44
Rot. Bonds7

About N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide

N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 113084136) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID113084136
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)c2c[nH]c3ccccc23)c(OC)c1
InChIInChI=1S/C20H24N2O4S/c1-20(2,16-12-21-17-8-6-5-7-15(16)17)13-22-27(23,24)19-10-9-14(25-3)11-18(19)26-4/h5-12,21-22H,13H2,1-4H3
InChIKeyPZEOFXGZLYOFMK-UHFFFAOYSA-N
XLogP3.44
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084400
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
CID 113084118
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-(3-amino-2,2-difluoropropyl)-2,4-dimethoxybenzenesulfonamide
CID 114383976
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084348
4-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-methylbenzenesulfonamide
CID 113084507
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide
CID 3833416
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide (CID 113084136) is N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)(C)c2c[nH]c3ccccc23)c(OC)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is PZEOFXGZLYOFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-20(2,16-12-21-17-8-6-5-7-15(16)17)13-22-27(23,24)19-10-9-14(25-3)11-18(19)26-4/h5-12,21-22H,13H2,1-4H3.
What are the key properties of N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide?
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-methylpropyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 113084136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).