1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide

C17H13N3O3S — CID 1094906

IUPAC1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccn4)ccc1c23
InChIInChI=1S/C17H13N3O3S/c1-20-13-8-9-14(11-5-4-6-12(16(11)13)17(20)21)24(22,23)19-15-7-2-3-10-18-15/h2-10H,1H3,(H,18,19)
InChIKeyAPPXCMLRVQQRNG-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.63
Rot. Bonds3

About 1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide

1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide (PubChem CID 1094906) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide
PubChem CID1094906
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccn4)ccc1c23
InChIInChI=1S/C17H13N3O3S/c1-20-13-8-9-14(11-5-4-6-12(16(11)13)17(20)21)24(22,23)19-15-7-2-3-10-18-15/h2-10H,1H3,(H,18,19)
InChIKeyAPPXCMLRVQQRNG-UHFFFAOYSA-N
XLogP2.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-oxo-N-(2-pyridinylmethyl)-6-benzo[cd]indolesulfonamide
CID 1192821
1-ethyl-N-(3-methylpyridin-2-yl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1235115
4-methyl-N-(2-methylphenyl)-3-[(2-pyridinylamino)sulfonyl]benzamide
CID 1355763
1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1534876
N-methyl-2-oxo-N-[2-(2-pyridinyl)ethyl]-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 2133620
3-[4-(Azepan-1-ylsulfonyl)anilino]-2-(2-pyridyl)isoindolin-1-one
CID 9550095
N,N-Diethyl-4-{[2-(5-methylpyridin-2-YL)-3-oxo-2,3-dihydro-1H-isoindol-1-YL]amino}benzene-1-sulfonamide
CID 9550097
1-ethyl-N-isoquinolin-8-yl-2-oxobenzo[cd]indole-6-sulfonamide
CID 90654867
N-(1-methyl-2-oxobenzo[cd]indol-6-yl)quinoline-8-sulfonamide
CID 155552169
2-(5-Methylpyridin-2-YL)-3-{[4-(piperidine-1-sulfonyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one
CID 9551368
2-keto-N-(2-pyridylmethyl)-1H-benzo[cd]indole-6-sulfonamide
CID 870241
N-{4-[(pyridin-4-ylmethyl)-sulfamoyl]-naphthalen-1-yl}-benzamide
CID 11384528

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide (CID 1094906) is 1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide is CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccn4)ccc1c23.
What is the InChIKey of 1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide?
The InChIKey is APPXCMLRVQQRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-20-13-8-9-14(11-5-4-6-12(16(11)13)17(20)21)24(22,23)19-15-7-2-3-10-18-15/h2-10H,1H3,(H,18,19).
What are the key properties of 1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide?
1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-pyridin-2-ylbenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1094906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).