N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide

C12H16N2O3S — CID 82487620

IUPACN-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C12H16N2O3S/c1-13-9-12(10-5-3-4-6-11(10)13)18(16,17)14(2)7-8-15/h3-6,9,15H,7-8H2,1-2H3
InChIKeyCBNXWUDHZHCQAK-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.79
Rot. Bonds4

About N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide

N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide (PubChem CID 82487620) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide
PubChem CID82487620
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide
SMILESCN(CCO)S(=O)(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C12H16N2O3S/c1-13-9-12(10-5-3-4-6-11(10)13)18(16,17)14(2)7-8-15/h3-6,9,15H,7-8H2,1-2H3
InChIKeyCBNXWUDHZHCQAK-UHFFFAOYSA-N
XLogP0.79
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol
CID 116855264
1-methylindole-3-sulfonamide
CID 18331867
1-methylindole-3-sulfonyl chloride
CID 55280184
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
N-hydroxy-1-methylindole-3-sulfonamide
CID 82287794
[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol
CID 171459557
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170221
N-(2-hydroxyethyl)-N,1-dimethylimidazole-4-sulfonamide
CID 62374965
[(2R)-2-methyl-1-(1-methylindol-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 166081390
8-hydroxy-1-N,3-N,6-N-tris(2-hydroxyethyl)-1-N,3-N,6-N-trimethylpyrene-1,3,6-trisulfonamide
CID 102497776
N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide (CID 82487620) is N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide is CN(CCO)S(=O)(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide?
The InChIKey is CBNXWUDHZHCQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-13-9-12(10-5-3-4-6-11(10)13)18(16,17)14(2)7-8-15/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide?
N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,1-dimethylindole-3-sulfonamide is sourced from PubChem (CID 82487620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).