N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide

C21H20N2O5S — CID 86288876

IUPACN-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(OC)c(OC)c4)ccc1c23
InChIInChI=1S/C21H20N2O5S/c1-4-23-16-9-11-19(14-6-5-7-15(20(14)16)21(23)24)29(25,26)22-13-8-10-17(27-2)18(12-13)28-3/h5-12,22H,4H2,1-3H3
InChIKeyCSCNKXNQAPIIDE-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.64
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide

N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 86288876) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID86288876
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC NameN-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(OC)c(OC)c4)ccc1c23
InChIInChI=1S/C21H20N2O5S/c1-4-23-16-9-11-19(14-6-5-7-15(20(14)16)21(23)24)29(25,26)22-13-8-10-17(27-2)18(12-13)28-3/h5-12,22H,4H2,1-3H3
InChIKeyCSCNKXNQAPIIDE-UHFFFAOYSA-N
XLogP3.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
CID 145829182
N-(2,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1523408
N-(4-{[(4-methoxyphenyl)amino]sulfonyl}naphthyl)benzamide
CID 3384970
N-(3,4-dimethoxyphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 1084227
N-(4-methoxyphenyl)-4-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzamide
CID 1249036
2-oxo-N-(4-phenoxyphenyl)-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1353440
1-ethyl-N-(2-methoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1523405
N-(4-ethoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1720683
N-(3,4-Dimethoxy-phenyl)-2-(1,1-dioxo-1H-1lambda*6*-naphtho[1,8-cd]isothiazol-2-yl)-propionamide
CID 2973325
N-(3,4-dimethoxyphenyl)-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetamide
CID 3557552
1-Cyclobutanecarbonyl-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 16034563
4-{Acetyl[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}phenyl acetate
CID 4856194

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 86288876) is N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(OC)c(OC)c4)ccc1c23.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is CSCNKXNQAPIIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-4-23-16-9-11-19(14-6-5-7-15(20(14)16)21(23)24)29(25,26)22-13-8-10-17(27-2)18(12-13)28-3/h5-12,22H,4H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 412.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 86288876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).