N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide

C15H16N2O3S — CID 15944463

IUPACN,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC
InChIInChI=1S/C15H16N2O3S/c1-3-16-21(19,20)13-9-8-12-14-10(13)6-5-7-11(14)15(18)17(12)4-2/h5-9,16H,3-4H2,1-2H3
InChIKeyAQNBGQLJCYVCBR-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.12
Rot. Bonds4

About N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide

N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 15944463) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID15944463
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC
InChIInChI=1S/C15H16N2O3S/c1-3-16-21(19,20)13-9-8-12-14-10(13)6-5-7-11(14)15(18)17(12)4-2/h5-9,16H,3-4H2,1-2H3
InChIKeyAQNBGQLJCYVCBR-UHFFFAOYSA-N
XLogP2.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1192817
N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)benzenesulfonamide
CID 6611008
N-{4-[(benzylamino)sulfonyl]-1-naphthyl}benzamide
CID 11270007
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
N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)butane-1-Sulfonamide
CID 105539842
2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]piperidin-4-yl}amino)sulfonyl]-1-naphthyl}benzamide
CID 10006907
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-2-methylbenzamide
CID 10391001
1H-Benzo[cd]indol-2-one, 1-ethyl-6-(piperazine-1-sulfonyl)-
CID 741724
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
(2-Oxo-1,2-dihydro-benzo[cd]indole-6-sulfonylamino)-acetic acid
CID 1103357

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 15944463) is N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide is CCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC.
What is the InChIKey of N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is AQNBGQLJCYVCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-16-21(19,20)13-9-8-12-14-10(13)6-5-7-11(14)15(18)17(12)4-2/h5-9,16H,3-4H2,1-2H3.
What are the key properties of N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide?
N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 15944463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).