4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide

C19H22N2O2S — CID 25047405

IUPAC4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-15-8-10-17(11-9-15)24(22,23)21-14(2)12-16-13-20-19-7-5-4-6-18(16)19/h4-11,13-14,20-21H,3,12H2,1-2H3
InChIKeyLMDPIACCWMIOQV-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.64
Rot. Bonds6

About 4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide

4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 25047405) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
PubChem CID25047405
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H22N2O2S/c1-3-15-8-10-17(11-9-15)24(22,23)21-14(2)12-16-13-20-19-7-5-4-6-18(16)19/h4-11,13-14,20-21H,3,12H2,1-2H3
InChIKeyLMDPIACCWMIOQV-UHFFFAOYSA-N
XLogP3.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 10249451
4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 3790571
N-[1-(1H-indol-3-yl)propan-2-yl]thiophene-2-sulfonamide
CID 3777897
N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide
CID 3759368
N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3587295
N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide
CID 3833416
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
methyl (2R)-3-(1H-indol-3-yl)-2-[[4-[2-[4-(2-methylpropyl)phenyl]ethynyl]phenyl]sulfonylamino]propanoate
CID 67589664
2,5-dibromo-3,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 10325022
2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 18979112
3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 5144045

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide (CID 25047405) is 4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is LMDPIACCWMIOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-15-8-10-17(11-9-15)24(22,23)21-14(2)12-16-13-20-19-7-5-4-6-18(16)19/h4-11,13-14,20-21H,3,12H2,1-2H3.
What are the key properties of 4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25047405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).