2-(1H-indol-3-ylsulfonylamino)propanoic acid

C11H12N2O4S — CID 82487562

IUPAC2-(1H-indol-3-ylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)c1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O4S/c1-7(11(14)15)13-18(16,17)10-6-12-9-5-3-2-4-8(9)10/h2-7,12-13H,1H3,(H,14,15)
InChIKeyFHXLUHMFAMZCKY-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.92
Rot. Bonds4

About 2-(1H-indol-3-ylsulfonylamino)propanoic acid

2-(1H-indol-3-ylsulfonylamino)propanoic acid (PubChem CID 82487562) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(1H-indol-3-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-(1H-indol-3-ylsulfonylamino)propanoic acid
PubChem CID82487562
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name2-(1H-indol-3-ylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)c1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O4S/c1-7(11(14)15)13-18(16,17)10-6-12-9-5-3-2-4-8(9)10/h2-7,12-13H,1H3,(H,14,15)
InChIKeyFHXLUHMFAMZCKY-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
1H-indole-3-sulfonohydrazide
CID 82284140
4,4-difluoro-3-(1H-indol-3-ylsulfonylamino)-3-methylbutanoic acid
CID 166289280
N-chloro-1H-indole-3-sulfonamide
CID 90719858
tert-butyl N-(1H-indol-3-ylsulfonyl)carbamate
CID 86620846
2-acetamido-N-(1H-indol-3-ylsulfonyl)-4-methylpentanamide
CID 167936324
2-(1H-indol-3-ylmethylamino)propanoic acid
CID 62324113
3-methylsulfonyl-1H-indole
CID 86767790
3-(1H-indol-3-ylsulfonyl)-2,2-dimethylpropan-1-ol
CID 116853109
(2S)-3-(1H-indol-3-yl)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]propanoic acid
CID 42080951
(2R)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 767454
2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 4668880

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-(1H-indol-3-ylsulfonylamino)propanoic acid (CID 82487562) is 2-(1H-indol-3-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-(1H-indol-3-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-(1H-indol-3-ylsulfonylamino)propanoic acid is CC(NS(=O)(=O)c1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-(1H-indol-3-ylsulfonylamino)propanoic acid?
The InChIKey is FHXLUHMFAMZCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-7(11(14)15)13-18(16,17)10-6-12-9-5-3-2-4-8(9)10/h2-7,12-13H,1H3,(H,14,15).
What are the key properties of 2-(1H-indol-3-ylsulfonylamino)propanoic acid?
2-(1H-indol-3-ylsulfonylamino)propanoic acid has a molecular weight of 268.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 82487562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).