ethane;2-indol-1-ylacetic acid;methanesulfonamide

C17H32N2O4S — CID 90844595

IUPACethane;2-indol-1-ylacetic acid;methanesulfonamide
SMILESCC.CC.CC.CS(N)(=O)=O.O=C(O)Cn1ccc2ccccc21
InChIInChI=1S/C10H9NO2.3C2H6.CH5NO2S/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11;3*1-2;1-5(2,3)4/h1-6H,7H2,(H,12,13);3*1-2H3;1H3,(H2,2,3,4)
InChIKeyBKHJBXMCSXGFKS-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.71
Rot. Bonds2

About ethane;2-indol-1-ylacetic acid;methanesulfonamide

ethane;2-indol-1-ylacetic acid;methanesulfonamide (PubChem CID 90844595) has the molecular formula C17H32N2O4S and a molecular weight of 360.52 g/mol. Its IUPAC name is ethane;2-indol-1-ylacetic acid;methanesulfonamide.

Molecular Properties

Compound Nameethane;2-indol-1-ylacetic acid;methanesulfonamide
PubChem CID90844595
Molecular FormulaC17H32N2O4S
Molecular Weight360.52 g/mol
Exact Mass360.21
IUPAC Nameethane;2-indol-1-ylacetic acid;methanesulfonamide
SMILESCC.CC.CC.CS(N)(=O)=O.O=C(O)Cn1ccc2ccccc21
InChIInChI=1S/C10H9NO2.3C2H6.CH5NO2S/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11;3*1-2;1-5(2,3)4/h1-6H,7H2,(H,12,13);3*1-2H3;1H3,(H2,2,3,4)
InChIKeyBKHJBXMCSXGFKS-UHFFFAOYSA-N
XLogP3.71
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane
CID 160539667
(2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+)
CID 173480777
N-(benzenesulfonyl)-2-indol-1-ylacetamide
CID 87044187
potassium 2-indol-1-ylacetate
CID 172851034
3-indol-1-yl-N-(2-methylsulfonylethylsulfonyl)propanamide
CID 75386486
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
3-[ethyl-(2-indol-1-ylacetyl)amino]propanoic acid
CID 119191440
2-[(2-indol-1-ylacetyl)-propylamino]acetic acid
CID 119205326
3-indol-1-yl-2-methylpropanamide
CID 63811423
but-2-enyl 2-indol-1-ylacetate
CID 103598369
2-[(2-indol-1-ylacetyl)-methylamino]propanoic acid
CID 119209301

Frequently Asked Questions

What is the IUPAC name of ethane;2-indol-1-ylacetic acid;methanesulfonamide?
The IUPAC name of ethane;2-indol-1-ylacetic acid;methanesulfonamide (CID 90844595) is ethane;2-indol-1-ylacetic acid;methanesulfonamide.
What is the SMILES notation for ethane;2-indol-1-ylacetic acid;methanesulfonamide?
The canonical SMILES for ethane;2-indol-1-ylacetic acid;methanesulfonamide is CC.CC.CC.CS(N)(=O)=O.O=C(O)Cn1ccc2ccccc21.
What is the InChIKey of ethane;2-indol-1-ylacetic acid;methanesulfonamide?
The InChIKey is BKHJBXMCSXGFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.3C2H6.CH5NO2S/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11;3*1-2;1-5(2,3)4/h1-6H,7H2,(H,12,13);3*1-2H3;1H3,(H2,2,3,4).
What are the key properties of ethane;2-indol-1-ylacetic acid;methanesulfonamide?
ethane;2-indol-1-ylacetic acid;methanesulfonamide has a molecular weight of 360.52 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-indol-1-ylacetic acid;methanesulfonamide is sourced from PubChem (CID 90844595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).