1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide

C20H18N2O3S — CID 15944531

IUPAC1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C)c4)ccc1c23
InChIInChI=1S/C20H18N2O3S/c1-3-22-17-10-11-18(15-8-5-9-16(19(15)17)20(22)23)26(24,25)21-14-7-4-6-13(2)12-14/h4-12,21H,3H2,1-2H3
InChIKeyNOUSDFARGPUMNO-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.93
Rot. Bonds4

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

1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 15944531) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID15944531
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C)c4)ccc1c23
InChIInChI=1S/C20H18N2O3S/c1-3-22-17-10-11-18(15-8-5-9-16(19(15)17)20(22)23)26(24,25)21-14-7-4-6-13(2)12-14/h4-12,21H,3H2,1-2H3
InChIKeyNOUSDFARGPUMNO-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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Related Compounds

1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide
CID 90670353
1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
CID 15944491
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
1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide
CID 118197350
N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944488
1-ethyl-N-[(4-methylphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 118200153
N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 1244587
3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide
CID 15944572
N-[(4-tert-butylphenyl)methyl]-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 118200173
1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide
CID 118200169
1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 90654880

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide (CID 15944531) is 1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(C)c4)ccc1c23.
What is the InChIKey of 1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is NOUSDFARGPUMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-3-22-17-10-11-18(15-8-5-9-16(19(15)17)20(22)23)26(24,25)21-14-7-4-6-13(2)12-14/h4-12,21H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide?
1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide 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 1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 15944531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).