N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide

C20H18N2O3S — CID 1069056

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(C)cc4)ccc1c23
InChIInChI=1S/C20H18N2O3S/c1-3-22-18-12-11-17(15-5-4-6-16(19(15)18)20(22)23)21-26(24,25)14-9-7-13(2)8-10-14/h4-12,21H,3H2,1-2H3
InChIKeyQJOXGNFFMPYCKH-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.93
Rot. Bonds4

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide (PubChem CID 1069056) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide
PubChem CID1069056
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(C)cc4)ccc1c23
InChIInChI=1S/C20H18N2O3S/c1-3-22-18-12-11-17(15-5-4-6-16(19(15)18)20(22)23)21-26(24,25)14-9-7-13(2)8-10-14/h4-12,21H,3H2,1-2H3
InChIKeyQJOXGNFFMPYCKH-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide (CID 1069056) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide is CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(C)cc4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is QJOXGNFFMPYCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-3-22-18-12-11-17(15-5-4-6-16(19(15)18)20(22)23)21-26(24,25)14-9-7-13(2)8-10-14/h4-12,21H,3H2,1-2H3.
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 3.93, 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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 1069056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).