N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide

C19H22N2O2S — CID 113085726

IUPACN-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide
SMILESCc1[nH]c2ccccc2c1C(C)(C)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-14-18(16-11-7-8-12-17(16)21-14)19(2,3)13-20-24(22,23)15-9-5-4-6-10-15/h4-12,20-21H,13H2,1-3H3
InChIKeyHCXGPAAVTIXWOP-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.73
Rot. Bonds5

About N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide

N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide (PubChem CID 113085726) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide
PubChem CID113085726
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide
SMILESCc1[nH]c2ccccc2c1C(C)(C)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-14-18(16-11-7-8-12-17(16)21-14)19(2,3)13-20-24(22,23)15-9-5-4-6-10-15/h4-12,20-21H,13H2,1-3H3
InChIKeyHCXGPAAVTIXWOP-UHFFFAOYSA-N
XLogP3.73
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]thiophene-2-sulfonamide
CID 113085743
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
CID 113085684
2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]acetonitrile
CID 115131519
2-methyl-2-[[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]amino]propanenitrile
CID 115129802
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-3-phenylpropanamide
CID 113085688
N-[2,2,2-trichloro-1-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 594210
methyl (2S)-2-(benzenesulfonamido)-3,3,3-trifluoro-2-(2-methyl-1H-indol-3-yl)propanoate
CID 121233496
N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365229
N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362987
4-bromo-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085673
N-(2-amino-2-methylpropyl)benzenesulfonamide;hydrochloride
CID 90081725
2-(4-chlorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085686

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide?
The IUPAC name of N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide (CID 113085726) is N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide.
What is the SMILES notation for N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide?
The canonical SMILES for N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide is Cc1[nH]c2ccccc2c1C(C)(C)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide?
The InChIKey is HCXGPAAVTIXWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-18(16-11-7-8-12-17(16)21-14)19(2,3)13-20-24(22,23)15-9-5-4-6-10-15/h4-12,20-21H,13H2,1-3H3.
What are the key properties of N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide?
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 113085726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).