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

C18H17F3N2O3S — CID 3587295

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H17F3N2O3S/c1-12(10-13-11-22-15-7-3-2-6-14(13)15)23-27(24,25)17-9-5-4-8-16(17)26-18(19,20)21/h2-9,11-12,22-23H,10H2,1H3
InChIKeyQNMXHYTULDIESE-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.98
Rot. Bonds6

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

N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3587295) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID3587295
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C18H17F3N2O3S/c1-12(10-13-11-22-15-7-3-2-6-14(13)15)23-27(24,25)17-9-5-4-8-16(17)26-18(19,20)21/h2-9,11-12,22-23H,10H2,1H3
InChIKeyQNMXHYTULDIESE-UHFFFAOYSA-N
XLogP3.98
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide
CID 3833416
N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 10249451
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223
4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 25047405
N-[1-(1H-indol-3-yl)propan-2-yl]thiophene-2-sulfonamide
CID 3777897
4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 3790571
N-(1-amino-4-methylpentan-2-yl)-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119983378
2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide
CID 3759368
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide (CID 3587295) is N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide is CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QNMXHYTULDIESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c1-12(10-13-11-22-15-7-3-2-6-14(13)15)23-27(24,25)17-9-5-4-8-16(17)26-18(19,20)21/h2-9,11-12,22-23H,10H2,1H3.
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 398.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3587295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).