N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

C18H17F3N2O3S — CID 124842203

IUPACN-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCn1ccc2cc([C@H](O)CNS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C18H17F3N2O3S/c1-23-9-8-12-10-13(2-7-16(12)23)17(24)11-22-27(25,26)15-5-3-14(4-6-15)18(19,20)21/h2-10,17,22,24H,11H2,1H3/t17-/m1/s1
InChIKeyBUTWJDDYPGKRRK-QGZVFWFLSA-N
MW398.41 g/mol
LogP3.21
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 124842203) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID124842203
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC NameN-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCn1ccc2cc([C@H](O)CNS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C18H17F3N2O3S/c1-23-9-8-12-10-13(2-7-16(12)23)17(24)11-22-27(25,26)15-5-3-14(4-6-15)18(19,20)21/h2-10,17,22,24H,11H2,1H3/t17-/m1/s1
InChIKeyBUTWJDDYPGKRRK-QGZVFWFLSA-N
XLogP3.21
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
CID 121179869
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide
CID 121179927
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 121179898
5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide
CID 124851679
2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
CID 124760956
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 91817720
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90581968
N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
CID 90534845
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 91817723
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dimethoxybenzenesulfonamide
CID 90534852
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 124842203) is N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is Cn1ccc2cc([C@H](O)CNS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BUTWJDDYPGKRRK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c1-23-9-8-12-10-13(2-7-16(12)23)17(24)11-22-27(25,26)15-5-3-14(4-6-15)18(19,20)21/h2-10,17,22,24H,11H2,1H3/t17-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 398.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 124842203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).