N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide

C19H26N4O3S — CID 91817723

IUPACN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)NCC(O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C19H26N4O3S/c1-12(2)23-14(4)19(13(3)21-23)27(25,26)20-11-18(24)16-6-7-17-15(10-16)8-9-22(17)5/h6-10,12,18,20,24H,11H2,1-5H3
InChIKeyARVQPINMWDVCQL-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.58
Rot. Bonds6

About N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide

N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 91817723) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID91817723
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)NCC(O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C19H26N4O3S/c1-12(2)23-14(4)19(13(3)21-23)27(25,26)20-11-18(24)16-6-7-17-15(10-16)8-9-22(17)5/h6-10,12,18,20,24H,11H2,1-5H3
InChIKeyARVQPINMWDVCQL-UHFFFAOYSA-N
XLogP2.58
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 121179898
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 91817720
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-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 90613554
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide
CID 124851679
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
1-(1-methylindol-5-yl)ethanol
CID 83387761

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 91817723) is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCC(O)c1ccc2c(ccn2C)c1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is ARVQPINMWDVCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-12(2)23-14(4)19(13(3)21-23)27(25,26)20-11-18(24)16-6-7-17-15(10-16)8-9-22(17)5/h6-10,12,18,20,24H,11H2,1-5H3.
What are the key properties of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide?
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 91817723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).