5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide

C20H17ClN2O4S — CID 127031094

IUPAC5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4cc(Cl)ccc4OC)ccc1c23
InChIInChI=1S/C20H17ClN2O4S/c1-3-23-16-9-8-15(13-5-4-6-14(19(13)16)20(23)24)22-28(25,26)18-11-12(21)7-10-17(18)27-2/h4-11,22H,3H2,1-2H3
InChIKeyPDETUCJYNSZMJK-UHFFFAOYSA-N
MW416.89 g/mol
LogP4.28
Rot. Bonds5

About 5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide

5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide (PubChem CID 127031094) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is 5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
PubChem CID127031094
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC Name5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4cc(Cl)ccc4OC)ccc1c23
InChIInChI=1S/C20H17ClN2O4S/c1-3-23-16-9-8-15(13-5-4-6-14(19(13)16)20(23)24)22-28(25,26)18-11-12(21)7-10-17(18)27-2/h4-11,22H,3H2,1-2H3
InChIKeyPDETUCJYNSZMJK-UHFFFAOYSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[({1-[(5-Chloro-2-Methoxyphenyl)sulfonyl]-4-Methyl-2,3-Dihydro-1h-Indol-6-Yl}carbonyl)amino]benzoic Acid
CID 16050815
2-Chloro-4-[({1-[(5-Chloro-2-Methoxyphenyl)sulfonyl]-4-Methyl-2,3-Dihydro-1h-Indol-6-Yl}carbonyl)amino]benzoic Acid
CID 16050909
5-Bromo-N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)-2-Methoxybenzenesulfonamide
CID 105539860
2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
CID 145829182
4-{[1-(5-Chloro-2-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indole-6-carbonyl]-amino}-benzoic acid
CID 15984085
5-chloro-2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
CID 155533716
Methyl 3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanoate
CID 155682739
1-ethyl-N-(2-methoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1523405
6-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl-methylamino]-1H-benzo[cd]indol-2-one
CID 15169682
1-(4-Chlorobenzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 16014632
5-Chloro-2-methoxy-N-{[1-(3-methylbenzoyl)-2,3-dihydro-1H-indol-5-YL]methyl}benzene-1-sulfonamide
CID 16030960
N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
CID 155518033

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide (CID 127031094) is 5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide is CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cc(Cl)ccc4OC)ccc1c23.
What is the InChIKey of 5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide?
The InChIKey is PDETUCJYNSZMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4S/c1-3-23-16-9-8-15(13-5-4-6-14(19(13)16)20(23)24)22-28(25,26)18-11-12(21)7-10-17(18)27-2/h4-11,22H,3H2,1-2H3.
What are the key properties of 5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide?
5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide has a molecular weight of 416.89 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 127031094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).