1H-indol-5-yl isoquinoline-5-sulfonate

C17H12N2O3S — CID 142737908

IUPAC1H-indol-5-yl isoquinoline-5-sulfonate
SMILESO=S(=O)(Oc1ccc2[nH]ccc2c1)c1cccc2cnccc12
InChIInChI=1S/C17H12N2O3S/c20-23(21,17-3-1-2-13-11-18-8-7-15(13)17)22-14-4-5-16-12(10-14)6-9-19-16/h1-11,19H
InChIKeyFMSKYLBEILDHJX-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.48
Rot. Bonds3

About 1H-indol-5-yl isoquinoline-5-sulfonate

1H-indol-5-yl isoquinoline-5-sulfonate (PubChem CID 142737908) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is 1H-indol-5-yl isoquinoline-5-sulfonate.

Molecular Properties

Compound Name1H-indol-5-yl isoquinoline-5-sulfonate
PubChem CID142737908
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC Name1H-indol-5-yl isoquinoline-5-sulfonate
SMILESO=S(=O)(Oc1ccc2[nH]ccc2c1)c1cccc2cnccc12
InChIInChI=1S/C17H12N2O3S/c20-23(21,17-3-1-2-13-11-18-8-7-15(13)17)22-14-4-5-16-12(10-14)6-9-19-16/h1-11,19H
InChIKeyFMSKYLBEILDHJX-UHFFFAOYSA-N
XLogP3.48
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 681823
2-(5-Methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)ethanamine
CID 44398325
(3-piperidin-4-yl-1H-indol-5-yl) 2,6-difluorobenzenesulfonate
CID 44398570
1-methyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl 2,6-difluorobenzenesulfonate
CID 6918827
2-(3-[4-(5-Hydroxy 3-indolyl)-1,2,3,6-tetrahydro-1-pyridyl]propyl)naphtho[1,8-cd]isothiazole 1,1-dioxide
CID 15646682
Trifluoromethanesulfonic acid 3-(2-aminoethyl)-1H-indol-5-yl ester
CID 10518850
3-[3-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 15646681
5-Methoxy-1-(naphthalene-2-sulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389023
4-[5-Methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylisoquinoline
CID 146680920
5-[5-Methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline
CID 155514378
4-(5-Methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline
CID 155518290
7-[5-Methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylquinoline
CID 155519559

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl isoquinoline-5-sulfonate?
The IUPAC name of 1H-indol-5-yl isoquinoline-5-sulfonate (CID 142737908) is 1H-indol-5-yl isoquinoline-5-sulfonate.
What is the SMILES notation for 1H-indol-5-yl isoquinoline-5-sulfonate?
The canonical SMILES for 1H-indol-5-yl isoquinoline-5-sulfonate is O=S(=O)(Oc1ccc2[nH]ccc2c1)c1cccc2cnccc12.
What is the InChIKey of 1H-indol-5-yl isoquinoline-5-sulfonate?
The InChIKey is FMSKYLBEILDHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c20-23(21,17-3-1-2-13-11-18-8-7-15(13)17)22-14-4-5-16-12(10-14)6-9-19-16/h1-11,19H.
What are the key properties of 1H-indol-5-yl isoquinoline-5-sulfonate?
1H-indol-5-yl isoquinoline-5-sulfonate has a molecular weight of 324.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl isoquinoline-5-sulfonate is sourced from PubChem (CID 142737908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).