N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide

C21H20N2O5S — CID 1244587

IUPACN-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(OC)ccc4OC)ccc1c23
InChIInChI=1S/C21H20N2O5S/c1-4-23-17-9-11-19(14-6-5-7-15(20(14)17)21(23)24)29(25,26)22-16-12-13(27-2)8-10-18(16)28-3/h5-12,22H,4H2,1-3H3
InChIKeyAMHVLYHDFAPUNI-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.64
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide

N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 1244587) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID1244587
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC NameN-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(OC)ccc4OC)ccc1c23
InChIInChI=1S/C21H20N2O5S/c1-4-23-17-9-11-19(14-6-5-7-15(20(14)17)21(23)24)29(25,26)22-16-12-13(27-2)8-10-18(16)28-3/h5-12,22H,4H2,1-3H3
InChIKeyAMHVLYHDFAPUNI-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

3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide
CID 15944572
1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide
CID 118197350
1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 90654880
1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944531
1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide
CID 90670353
N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944466
1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide
CID 118197299
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-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea
CID 1068830
1-ethyl-6-(4-methoxyanilino)sulfanylbenzo[cd]indol-2-one
CID 144874581

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 1244587) is N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(OC)ccc4OC)ccc1c23.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is AMHVLYHDFAPUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-4-23-17-9-11-19(14-6-5-7-15(20(14)17)21(23)24)29(25,26)22-16-12-13(27-2)8-10-18(16)28-3/h5-12,22H,4H2,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide?
N-(2,5-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-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1244587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).