N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide

C15H18N4O3S — CID 71806366

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C15H18N4O3S/c1-18-9-15(16-10-18)23(21,22)17-7-14(20)12-8-19(2)13-6-4-3-5-11(12)13/h3-6,8-10,14,17,20H,7H2,1-2H3
InChIKeyKKYFLGIFKHMMSV-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.92
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 71806366) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID71806366
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C15H18N4O3S/c1-18-9-15(16-10-18)23(21,22)17-7-14(20)12-8-19(2)13-6-4-3-5-11(12)13/h3-6,8-10,14,17,20H,7H2,1-2H3
InChIKeyKKYFLGIFKHMMSV-UHFFFAOYSA-N
XLogP0.92
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide (CID 71806366) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC(O)c2cn(C)c3ccccc23)c1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is KKYFLGIFKHMMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-18-9-15(16-10-18)23(21,22)17-7-14(20)12-8-19(2)13-6-4-3-5-11(12)13/h3-6,8-10,14,17,20H,7H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.92, 5 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-3-yl)ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 71806366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).