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

C20H18N2O4S — CID 167890909

IUPACN-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)NCCc4ccccc4O)ccc1c23
InChIInChI=1S/C20H18N2O4S/c1-22-16-9-10-18(14-6-4-7-15(19(14)16)20(22)24)27(25,26)21-12-11-13-5-2-3-8-17(13)23/h2-10,21,23H,11-12H2,1H3
InChIKeyGEBAOIWZDUYQIM-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.66
Rot. Bonds5

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

N-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 167890909) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID167890909
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)NCCc4ccccc4O)ccc1c23
InChIInChI=1S/C20H18N2O4S/c1-22-16-9-10-18(14-6-4-7-15(19(14)16)20(22)24)27(25,26)21-12-11-13-5-2-3-8-17(13)23/h2-10,21,23H,11-12H2,1H3
InChIKeyGEBAOIWZDUYQIM-UHFFFAOYSA-N
XLogP2.66
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(2-hydroxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1094903
1-Methyl-2-oxo-1,2-dihydro-benzo[cd]indole-6-sulfonic acid phenethyl-amide
CID 1094909
N-(4-hydroxy-2-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 6486633
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
US10968172, ID # 7b
CID 146503481
1-ethyl-N-(2-methoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1523405
2-(2-Oxo-1,2-dihydro-benzo[cd]indole-6-sulfonylamino)-benzoic acid
CID 1720676
N-(4-ethoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1720683
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
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-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 167890909) is N-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide is CN1C(=O)c2cccc3c(S(=O)(=O)NCCc4ccccc4O)ccc1c23.
What is the InChIKey of N-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is GEBAOIWZDUYQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-22-16-9-10-18(14-6-4-7-15(19(14)16)20(22)24)27(25,26)21-12-11-13-5-2-3-8-17(13)23/h2-10,21,23H,11-12H2,1H3.
What are the key properties of N-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
N-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 382.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 167890909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).