2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid

C11H12N2O4S — CID 71186806

IUPAC2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid
SMILESCS(=O)(=O)Nc1ccc2[nH]cc(CC(=O)O)c2c1
InChIInChI=1S/C11H12N2O4S/c1-18(16,17)13-8-2-3-10-9(5-8)7(6-12-10)4-11(14)15/h2-3,5-6,12-13H,4H2,1H3,(H,14,15)
InChIKeyHBOYNWZCRGBBGF-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.17
Rot. Bonds4

About 2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid

2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid (PubChem CID 71186806) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid
PubChem CID71186806
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid
SMILESCS(=O)(=O)Nc1ccc2[nH]cc(CC(=O)O)c2c1
InChIInChI=1S/C11H12N2O4S/c1-18(16,17)13-8-2-3-10-9(5-8)7(6-12-10)4-11(14)15/h2-3,5-6,12-13H,4H2,1H3,(H,14,15)
InChIKeyHBOYNWZCRGBBGF-UHFFFAOYSA-N
XLogP1.17
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-1H-indol-3-yl)acetic acid
CID 24974925
2-[5-(4-phenylphenyl)-1H-indol-3-yl]acetic acid
CID 131953217
4-[5-(ethylsulfonylamino)-1H-indol-3-yl]butane-1-sulfonic acid
CID 54110613
2-[5-(3,5-dimethylphenyl)-1H-indol-3-yl]acetic acid
CID 95483214
3-(5-methylsulfonyl-1H-indol-3-yl)propanoic acid
CID 83984871
(2S)-3-(3,5-difluorophenyl)-2-[[2-[5-(methanesulfonamido)-1H-indol-3-yl]acetyl]amino]-N-(4-methoxyphenyl)-N-methylpropanamide
CID 171713972
N-[3-[2-(4-benzylpiperidin-1-yl)-2-oxoacetyl]-1H-indol-5-yl]methanesulfonamide
CID 71457414
N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide
CID 14181006
N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide
CID 12803112
2-(5-bromo-1H-indol-3-yl)acetic acid;2-(5-bromo-1H-indol-3-yl)-2-oxoacetic acid
CID 161121014
methyl 2-[5-(3,3-dimethylbutanoylamino)-1H-indol-3-yl]acetate
CID 129128632
2-(5-butoxy-1H-indol-3-yl)acetic acid;methyl 2-(5-butoxy-1H-indol-3-yl)acetate
CID 158449887

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid (CID 71186806) is 2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid is CS(=O)(=O)Nc1ccc2[nH]cc(CC(=O)O)c2c1.
What is the InChIKey of 2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid?
The InChIKey is HBOYNWZCRGBBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-18(16,17)13-8-2-3-10-9(5-8)7(6-12-10)4-11(14)15/h2-3,5-6,12-13H,4H2,1H3,(H,14,15).
What are the key properties of 2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid?
2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid has a molecular weight of 268.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methanesulfonamido)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 71186806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).