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

C19H22N2O3S — CID 127033770

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)C4CCCCC4)ccc1c23
InChIInChI=1S/C19H22N2O3S/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/h6,9-13,20H,2-5,7-8H2,1H3
InChIKeySWOAKXBUWVPXQO-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.89
Rot. Bonds4

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

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide (PubChem CID 127033770) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide
PubChem CID127033770
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)C4CCCCC4)ccc1c23
InChIInChI=1S/C19H22N2O3S/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/h6,9-13,20H,2-5,7-8H2,1H3
InChIKeySWOAKXBUWVPXQO-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 6611008
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-methylsulfonylbenzenesulfonamide
CID 134164682
4-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 1395662
1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one
CID 781532
4-[cyclopropyl(methyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 41363936
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935221
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
CID 3238683
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 42427896
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
CID 3998958
1-ethyl-2-oxobenzo[cd]indole-6-sulfinic acid
CID 6913862
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide
CID 41149488
N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944466

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide (CID 127033770) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide is CCN1C(=O)c2cccc3c(NS(=O)(=O)C4CCCCC4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide?
The InChIKey is SWOAKXBUWVPXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/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/h6,9-13,20H,2-5,7-8H2,1H3.
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)cyclohexanesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.89, 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)cyclohexanesulfonamide is sourced from PubChem (CID 127033770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).