N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide

C19H16N2O3S — CID 6611008

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4)ccc1c23
InChIInChI=1S/C19H16N2O3S/c1-2-21-17-12-11-16(14-9-6-10-15(18(14)17)19(21)22)20-25(23,24)13-7-4-3-5-8-13/h3-12,20H,2H2,1H3
InChIKeyLIRJKOSHTDJEPJ-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.62
Rot. Bonds4

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide (PubChem CID 6611008) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
PubChem CID6611008
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4)ccc1c23
InChIInChI=1S/C19H16N2O3S/c1-2-21-17-12-11-16(14-9-6-10-15(18(14)17)19(21)22)20-25(23,24)13-7-4-3-5-8-13/h3-12,20H,2H2,1H3
InChIKeyLIRJKOSHTDJEPJ-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 1395662
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-methylsulfonylbenzenesulfonamide
CID 134164682
2-(benzenesulfonamido)-N-(1-butyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 121040722
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide
CID 127033770
1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide
CID 90670353
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-phenoxyacetamide
CID 3990187
N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944466
1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
CID 15944491
4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4208820
1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide
CID 118197350
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
CID 3238683
N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 1244587

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide (CID 6611008) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide is CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The InChIKey is LIRJKOSHTDJEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-2-21-17-12-11-16(14-9-6-10-15(18(14)17)19(21)22)20-25(23,24)13-7-4-3-5-8-13/h3-12,20H,2H2,1H3.
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide has a molecular weight of 352.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide is sourced from PubChem (CID 6611008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).