2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid

C13H10N2O5S — CID 1103357

IUPAC2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C13H10N2O5S/c16-11(17)6-14-21(19,20)10-5-4-9-12-7(10)2-1-3-8(12)13(18)15-9/h1-5,14H,6H2,(H,15,18)(H,16,17)
InChIKeyLWURWVOYSYFJSO-UHFFFAOYSA-N
MW306.30 g/mol
LogP0.77
Rot. Bonds4

About 2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid

2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid (PubChem CID 1103357) has the molecular formula C13H10N2O5S and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid
PubChem CID1103357
Molecular FormulaC13H10N2O5S
Molecular Weight306.30 g/mol
Exact Mass306.03
IUPAC Name2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C13H10N2O5S/c16-11(17)6-14-21(19,20)10-5-4-9-12-7(10)2-1-3-8(12)13(18)15-9/h1-5,14H,6H2,(H,15,18)(H,16,17)
InChIKeyLWURWVOYSYFJSO-UHFFFAOYSA-N
XLogP0.77
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Inhibitor Idd 384
CID 1944
N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1192817
N-[(1-Acetylpiperidin-4-Yl)methyl]-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 90654872
N-Cycloheptyl-1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indole-6-Sulfonamide
CID 105539837
1H-Benzo[cd]indol-2-one, 1-ethyl-6-(piperazine-1-sulfonyl)-
CID 741724
1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1534872
N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 15944463
1-({[(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)sulfonyl]amino}methyl)cyclopentanecarboxylic Acid
CID 105539836
N,N,1-trimethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1094897
1-Methyl-2-oxo-1,2-dihydro-benzo[cd]indole-6-sulfonic acid phenethyl-amide
CID 1094909
Ethyl 1-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl)piperidine-4-carboxylate
CID 1192824
Ethyl 4-[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]-1-piperazinecarboxylate
CID 2133616

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid (CID 1103357) is 2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of 2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid?
The InChIKey is LWURWVOYSYFJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5S/c16-11(17)6-14-21(19,20)10-5-4-9-12-7(10)2-1-3-8(12)13(18)15-9/h1-5,14H,6H2,(H,15,18)(H,16,17).
What are the key properties of 2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid?
2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid has a molecular weight of 306.30 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 1103357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).