2-(1H-indol-2-ylsulfonylamino)acetic acid

C10H10N2O4S — CID 22400906

IUPAC2-(1H-indol-2-ylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C10H10N2O4S/c13-10(14)6-11-17(15,16)9-5-7-3-1-2-4-8(7)12-9/h1-5,11-12H,6H2,(H,13,14)
InChIKeyRRVJJZPKFJROKS-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.53
Rot. Bonds4

About 2-(1H-indol-2-ylsulfonylamino)acetic acid

2-(1H-indol-2-ylsulfonylamino)acetic acid (PubChem CID 22400906) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 2-(1H-indol-2-ylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(1H-indol-2-ylsulfonylamino)acetic acid
PubChem CID22400906
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name2-(1H-indol-2-ylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C10H10N2O4S/c13-10(14)6-11-17(15,16)9-5-7-3-1-2-4-8(7)12-9/h1-5,11-12H,6H2,(H,13,14)
InChIKeyRRVJJZPKFJROKS-UHFFFAOYSA-N
XLogP0.53
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-ylsulfonylamino)acetic acid?
The IUPAC name of 2-(1H-indol-2-ylsulfonylamino)acetic acid (CID 22400906) is 2-(1H-indol-2-ylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(1H-indol-2-ylsulfonylamino)acetic acid?
The canonical SMILES for 2-(1H-indol-2-ylsulfonylamino)acetic acid is O=C(O)CNS(=O)(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-indol-2-ylsulfonylamino)acetic acid?
The InChIKey is RRVJJZPKFJROKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c13-10(14)6-11-17(15,16)9-5-7-3-1-2-4-8(7)12-9/h1-5,11-12H,6H2,(H,13,14).
What are the key properties of 2-(1H-indol-2-ylsulfonylamino)acetic acid?
2-(1H-indol-2-ylsulfonylamino)acetic acid has a molecular weight of 254.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-ylsulfonylamino)acetic acid is sourced from PubChem (CID 22400906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).