N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide

C20H24N2O4S — CID 121179927

IUPACN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC(O)c2ccc3c(ccn3C)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-3-12-26-17-5-7-18(8-6-17)27(24,25)21-14-20(23)16-4-9-19-15(13-16)10-11-22(19)2/h4-11,13,20-21,23H,3,12,14H2,1-2H3
InChIKeyRJNKRFNGWKQTAI-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.98
Rot. Bonds8

About N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide

N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide (PubChem CID 121179927) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide
PubChem CID121179927
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC(O)c2ccc3c(ccn3C)c2)cc1
InChIInChI=1S/C20H24N2O4S/c1-3-12-26-17-5-7-18(8-6-17)27(24,25)21-14-20(23)16-4-9-19-15(13-16)10-11-22(19)2/h4-11,13,20-21,23H,3,12,14H2,1-2H3
InChIKeyRJNKRFNGWKQTAI-UHFFFAOYSA-N
XLogP2.98
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 124842203
3-fluoro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzenesulfonamide
CID 121179869
5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide
CID 124851679
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 121179898
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-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide
CID 90497393
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 91817723
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide (CID 121179927) is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCC(O)c2ccc3c(ccn3C)c2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide?
The InChIKey is RJNKRFNGWKQTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-3-12-26-17-5-7-18(8-6-17)27(24,25)21-14-20(23)16-4-9-19-15(13-16)10-11-22(19)2/h4-11,13,20-21,23H,3,12,14H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide?
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide is sourced from PubChem (CID 121179927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).