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

C19H16N2O4S — CID 1094903

IUPAC1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4O)ccc1c23
InChIInChI=1S/C19H16N2O4S/c1-2-21-15-10-11-17(12-6-5-7-13(18(12)15)19(21)23)26(24,25)20-14-8-3-4-9-16(14)22/h3-11,20,22H,2H2,1H3
InChIKeyKUZNHNIMDQMHSP-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.33
Rot. Bonds4

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

1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 1094903) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID1094903
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4O)ccc1c23
InChIInChI=1S/C19H16N2O4S/c1-2-21-15-10-11-17(12-6-5-7-13(18(12)15)19(21)23)26(24,25)20-14-8-3-4-9-16(14)22/h3-11,20,22H,2H2,1H3
InChIKeyKUZNHNIMDQMHSP-UHFFFAOYSA-N
XLogP3.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 6486633
N-(2,4-dimethoxyphenyl)-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1523408
2-{[(1-Ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzoic acid
CID 1652717
N-(3-acetylphenyl)-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 15944574
1-ethyl-N-(2-methoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1523405
N-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]phenylalanine
CID 3158610
6-[[4-(4-hydroxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one
CID 15169681
2-[(1-Ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid
CID 127030768
3-[(1-Ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid
CID 127030774
N-(2-hydroxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 726605
2-Hydroxy-5-(1-methyl-2-oxo-1,2-dihydro-benzo[cd]indole-6-sulfonylamino)-benzoic acid
CID 1094907
6-((4-(2-methoxyphenyl)piperazin-1-yl)sulfonyl)benzo[cd]indol-2(1H)-one
CID 1159974

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide (CID 1094903) is 1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4O)ccc1c23.
What is the InChIKey of 1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is KUZNHNIMDQMHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-2-21-15-10-11-17(12-6-5-7-13(18(12)15)19(21)23)26(24,25)20-14-8-3-4-9-16(14)22/h3-11,20,22H,2H2,1H3.
What are the key properties of 1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide?
1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 368.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxyphenyl)-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1094903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).