N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide

C21H24N2O2S — CID 155515871

IUPACN-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide
SMILESC=CC[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C21H24N2O2S/c1-4-7-18(13-17-14-22-20-9-6-5-8-19(17)20)23-26(24,25)21-12-15(2)10-11-16(21)3/h4-6,8-12,14,18,22-23H,1,7,13H2,2-3H3/t18-/m0/s1
InChIKeyFYGKGBGNGHQVGG-SFHVURJKSA-N
MW368.50 g/mol
LogP4.25
Rot. Bonds7

About N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide

N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide (PubChem CID 155515871) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide
PubChem CID155515871
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide
SMILESC=CC[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C21H24N2O2S/c1-4-7-18(13-17-14-22-20-9-6-5-8-19(17)20)23-26(24,25)21-12-15(2)10-11-16(21)3/h4-6,8-12,14,18,22-23H,1,7,13H2,2-3H3/t18-/m0/s1
InChIKeyFYGKGBGNGHQVGG-SFHVURJKSA-N
XLogP4.25
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 166232780
4-bromo-N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]benzenesulfonamide
CID 155532113
(2S)-3-(1H-indol-3-yl)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]propanoic acid
CID 42080951
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
(2S)-3-(1H-indol-3-yl)-2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]propanoic acid
CID 40822945
methyl (2S)-3-(1H-indol-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 10046547
(2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoate
CID 2564289
N-[1-[2-(1H-indole-3-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 24541315
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
5-fluoro-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]pyridine-3-sulfonamide
CID 97325949
(2R)-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 1078077
N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3587295

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide (CID 155515871) is N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide is C=CC[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is FYGKGBGNGHQVGG-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-4-7-18(13-17-14-22-20-9-6-5-8-19(17)20)23-26(24,25)21-12-15(2)10-11-16(21)3/h4-6,8-12,14,18,22-23H,1,7,13H2,2-3H3/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide?
N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1H-indol-3-yl)pent-4-en-2-yl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 155515871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).