2-(sulfinatocarbamoyl)-1H-indole

C9H7N2O3S- — CID 174607158

IUPAC2-(sulfinatocarbamoyl)-1H-indole
SMILESO=C(NS(=O)[O-])c1cc2ccccc2[nH]1
InChIInChI=1S/C9H8N2O3S/c12-9(11-15(13)14)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)(H,13,14)/p-1
InChIKeyICMZJATWFJQEBT-UHFFFAOYSA-M
MW223.23 g/mol
LogP0.69
Rot. Bonds2

About 2-(sulfinatocarbamoyl)-1H-indole

2-(sulfinatocarbamoyl)-1H-indole (PubChem CID 174607158) has the molecular formula C9H7N2O3S- and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(sulfinatocarbamoyl)-1H-indole.

Molecular Properties

Compound Name2-(sulfinatocarbamoyl)-1H-indole
PubChem CID174607158
Molecular FormulaC9H7N2O3S-
Molecular Weight223.23 g/mol
Exact Mass223.02
IUPAC Name2-(sulfinatocarbamoyl)-1H-indole
SMILESO=C(NS(=O)[O-])c1cc2ccccc2[nH]1
InChIInChI=1S/C9H8N2O3S/c12-9(11-15(13)14)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)(H,13,14)/p-1
InChIKeyICMZJATWFJQEBT-UHFFFAOYSA-M
XLogP0.69
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
(1H-indole-2-carbonylamino)thiourea
CID 15483527
1H-indole-2-carbothioic S-acid
CID 4713092
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
N-(2,3-difluorophenyl)-1H-indole-2-carboxamide
CID 61077035
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
ethane;1H-indole-2-carboxylic acid
CID 91052830
N-pyrazin-2-yl-1H-indole-2-carboxamide
CID 43422742
N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
CID 103766830

Frequently Asked Questions

What is the IUPAC name of 2-(sulfinatocarbamoyl)-1H-indole?
The IUPAC name of 2-(sulfinatocarbamoyl)-1H-indole (CID 174607158) is 2-(sulfinatocarbamoyl)-1H-indole.
What is the SMILES notation for 2-(sulfinatocarbamoyl)-1H-indole?
The canonical SMILES for 2-(sulfinatocarbamoyl)-1H-indole is O=C(NS(=O)[O-])c1cc2ccccc2[nH]1.
What is the InChIKey of 2-(sulfinatocarbamoyl)-1H-indole?
The InChIKey is ICMZJATWFJQEBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8N2O3S/c12-9(11-15(13)14)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)(H,13,14)/p-1.
What are the key properties of 2-(sulfinatocarbamoyl)-1H-indole?
2-(sulfinatocarbamoyl)-1H-indole has a molecular weight of 223.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinatocarbamoyl)-1H-indole is sourced from PubChem (CID 174607158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).