N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide

C17H22N4O3S — CID 91817720

IUPACN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCC(O)c2ccc3c(ccn3C)c2)c1
InChIInChI=1S/C17H22N4O3S/c1-12(2)21-10-17(18-11-21)25(23,24)19-9-16(22)14-4-5-15-13(8-14)6-7-20(15)3/h4-8,10-12,16,19,22H,9H2,1-3H3
InChIKeyBIEAIRRMVKKBSH-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.97
Rot. Bonds6

About N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 91817720) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID91817720
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NCC(O)c2ccc3c(ccn3C)c2)c1
InChIInChI=1S/C17H22N4O3S/c1-12(2)21-10-17(18-11-21)25(23,24)19-9-16(22)14-4-5-15-13(8-14)6-7-20(15)3/h4-8,10-12,16,19,22H,9H2,1-3H3
InChIKeyBIEAIRRMVKKBSH-UHFFFAOYSA-N
XLogP1.97
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 121179898
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 124842203
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-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-propoxybenzenesulfonamide
CID 121179927
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-1-methylimidazole-4-sulfonamide
CID 119099582
5-[[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]sulfamoyl]-2-methoxybenzamide
CID 124851679
N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 109379589

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 91817720) is N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NCC(O)c2ccc3c(ccn3C)c2)c1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is BIEAIRRMVKKBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12(2)21-10-17(18-11-21)25(23,24)19-9-16(22)14-4-5-15-13(8-14)6-7-20(15)3/h4-8,10-12,16,19,22H,9H2,1-3H3.
What are the key properties of N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.97, 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]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 91817720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).