N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide

C20H24N2O3S — CID 121179898

IUPACN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(O)c2ccc3c(ccn3C)c2)c(C)c1
InChIInChI=1S/C20H24N2O3S/c1-13-9-14(2)20(15(3)10-13)26(24,25)21-12-19(23)17-5-6-18-16(11-17)7-8-22(18)4/h5-11,19,21,23H,12H2,1-4H3
InChIKeySRLBBXDLTZGPGT-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.12
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide

N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 121179898) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID121179898
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(O)c2ccc3c(ccn3C)c2)c(C)c1
InChIInChI=1S/C20H24N2O3S/c1-13-9-14(2)20(15(3)10-13)26(24,25)21-12-19(23)17-5-6-18-16(11-17)7-8-22(18)4/h5-11,19,21,23H,12H2,1-4H3
InChIKeySRLBBXDLTZGPGT-UHFFFAOYSA-N
XLogP3.12
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 91817723
2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
CID 124760956
3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
CID 121179869
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 124842203
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide
CID 121179927
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 91817720
5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide
CID 124851679
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide
CID 90500302
1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea
CID 124855662
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide (CID 121179898) is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC(O)c2ccc3c(ccn3C)c2)c(C)c1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is SRLBBXDLTZGPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13-9-14(2)20(15(3)10-13)26(24,25)21-12-19(23)17-5-6-18-16(11-17)7-8-22(18)4/h5-11,19,21,23H,12H2,1-4H3.
What are the key properties of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide?
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 121179898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).