3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate

C17H13N2O6S- — CID 7006411

IUPAC3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1c(C(=O)[O-])[nH]c2ccccc12
InChIInChI=1S/C17H14N2O6S/c1-25-17(22)11-7-3-5-9-13(11)26(23,24)19-14-10-6-2-4-8-12(10)18-15(14)16(20)21/h2-9,18-19H,1H3,(H,20,21)/p-1
InChIKeyMAJUHFLTKGEEQH-UHFFFAOYSA-M
MW373.37 g/mol
LogP1.12
Rot. Bonds5

About 3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate

3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate (PubChem CID 7006411) has the molecular formula C17H13N2O6S- and a molecular weight of 373.37 g/mol. Its IUPAC name is 3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Name3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
PubChem CID7006411
Molecular FormulaC17H13N2O6S-
Molecular Weight373.37 g/mol
Exact Mass373.05
IUPAC Name3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1c(C(=O)[O-])[nH]c2ccccc12
InChIInChI=1S/C17H14N2O6S/c1-25-17(22)11-7-3-5-9-13(11)26(23,24)19-14-10-6-2-4-8-12(10)18-15(14)16(20)21/h2-9,18-19H,1H3,(H,20,21)/p-1
InChIKeyMAJUHFLTKGEEQH-UHFFFAOYSA-M
XLogP1.12
TPSA128.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate?
The IUPAC name of 3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate (CID 7006411) is 3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate.
What is the SMILES notation for 3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate?
The canonical SMILES for 3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate is COC(=O)c1ccccc1S(=O)(=O)Nc1c(C(=O)[O-])[nH]c2ccccc12.
What is the InChIKey of 3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate?
The InChIKey is MAJUHFLTKGEEQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14N2O6S/c1-25-17(22)11-7-3-5-9-13(11)26(23,24)19-14-10-6-2-4-8-12(10)18-15(14)16(20)21/h2-9,18-19H,1H3,(H,20,21)/p-1.
What are the key properties of 3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate?
3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate has a molecular weight of 373.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate is sourced from PubChem (CID 7006411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).