N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide

C19H22N2O4S — CID 3833416

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H22N2O4S/c1-13(10-14-12-20-17-7-5-4-6-16(14)17)21-26(22,23)19-11-15(24-2)8-9-18(19)25-3/h4-9,11-13,20-21H,10H2,1-3H3
InChIKeyWFIKFAOFEPMGCL-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.09
Rot. Bonds7

About N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide

N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 3833416) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide
PubChem CID3833416
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H22N2O4S/c1-13(10-14-12-20-17-7-5-4-6-16(14)17)21-26(22,23)19-11-15(24-2)8-9-18(19)25-3/h4-9,11-13,20-21H,10H2,1-3H3
InChIKeyWFIKFAOFEPMGCL-UHFFFAOYSA-N
XLogP3.09
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3587295
N-[1-(1H-indol-3-yl)propan-2-yl]thiophene-2-sulfonamide
CID 3777897
N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 10249451
2,5-dimethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2954841
4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 25047405
2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681907
4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 3790571
3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 5144045
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 26419309
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 26419222
2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide
CID 69144153
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide (CID 3833416) is N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is WFIKFAOFEPMGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(10-14-12-20-17-7-5-4-6-16(14)17)21-26(22,23)19-11-15(24-2)8-9-18(19)25-3/h4-9,11-13,20-21H,10H2,1-3H3.
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide?
N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3833416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).