1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide

C25H20N2O3S — CID 90670353

IUPAC1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(-c5ccccc5)c4)ccc1c23
InChIInChI=1S/C25H20N2O3S/c1-2-27-22-14-15-23(20-12-7-13-21(24(20)22)25(27)28)31(29,30)26-19-11-6-10-18(16-19)17-8-4-3-5-9-17/h3-16,26H,2H2,1H3
InChIKeyRIHWZRSLZORHBM-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.29
Rot. Bonds5

About 1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide

1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide (PubChem CID 90670353) has the molecular formula C25H20N2O3S and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide
PubChem CID90670353
Molecular FormulaC25H20N2O3S
Molecular Weight428.51 g/mol
Exact Mass428.12
IUPAC Name1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(-c5ccccc5)c4)ccc1c23
InChIInChI=1S/C25H20N2O3S/c1-2-27-22-14-15-23(20-12-7-13-21(24(20)22)25(27)28)31(29,30)26-19-11-6-10-18(16-19)17-8-4-3-5-9-17/h3-16,26H,2H2,1H3
InChIKeyRIHWZRSLZORHBM-UHFFFAOYSA-N
XLogP5.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944531
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
1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
CID 15944491
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 6611008
N-(2,5-dimethoxyphenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 1244587
(2R)-2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-3-phenylpropanoate
CID 6966030
3-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methoxybenzamide
CID 15944572
1-ethyl-N-[(4-methylphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 118200153
N-[(4-tert-butylphenyl)methyl]-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 118200173
(2S)-2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 2241540

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide (CID 90670353) is 1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(-c5ccccc5)c4)ccc1c23.
What is the InChIKey of 1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide?
The InChIKey is RIHWZRSLZORHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3S/c1-2-27-22-14-15-23(20-12-7-13-21(24(20)22)25(27)28)31(29,30)26-19-11-6-10-18(16-19)17-8-4-3-5-9-17/h3-16,26H,2H2,1H3.
What are the key properties of 1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide?
1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide has a molecular weight of 428.51 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 90670353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).