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

C14H14N2O3S — CID 1094897

IUPACN,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)N(C)C)ccc1c23
InChIInChI=1S/C14H14N2O3S/c1-15(2)20(18,19)12-8-7-11-13-9(12)5-4-6-10(13)14(17)16(11)3/h4-8H,1-3H3
InChIKeyUOTGEVBCAVTTKN-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.68
Rot. Bonds2

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

N,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 1094897) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID1094897
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)N(C)C)ccc1c23
InChIInChI=1S/C14H14N2O3S/c1-15(2)20(18,19)12-8-7-11-13-9(12)5-4-6-10(13)14(17)16(11)3/h4-8H,1-3H3
InChIKeyUOTGEVBCAVTTKN-UHFFFAOYSA-N
XLogP1.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
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-[(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
1H-Benzo[cd]indol-2-one, 1-ethyl-6-(piperazine-1-sulfonyl)-
CID 741724
(2-Oxo-1,2-dihydro-benzo[cd]indole-6-sulfonylamino)-acetic acid
CID 1103357
Benz[cd]indol-2(1H)-one, 1-methyl-
CID 121175
1-Ethylbenz[cd]indol-2(1H)-one
CID 74592
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

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 1094897) is N,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide is CN1C(=O)c2cccc3c(S(=O)(=O)N(C)C)ccc1c23.
What is the InChIKey of N,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is UOTGEVBCAVTTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-15(2)20(18,19)12-8-7-11-13-9(12)5-4-6-10(13)14(17)16(11)3/h4-8H,1-3H3.
What are the key properties of N,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide?
N,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 290.34 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1094897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).