N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C18H13ClN2O4S — CID 60588923

IUPACN-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCOc1ccc(Cl)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C18H13ClN2O4S/c1-25-10-5-6-13(19)15(9-10)21-26(23,24)16-8-7-14-17-11(16)3-2-4-12(17)18(22)20-14/h2-9,21H,1H3,(H,20,22)
InChIKeyHJGMLSKPRBEADL-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.87
Rot. Bonds4

About N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 60588923) has the molecular formula C18H13ClN2O4S and a molecular weight of 388.83 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID60588923
Molecular FormulaC18H13ClN2O4S
Molecular Weight388.83 g/mol
Exact Mass388.03
IUPAC NameN-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCOc1ccc(Cl)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C18H13ClN2O4S/c1-25-10-5-6-13(19)15(9-10)21-26(23,24)16-8-7-14-17-11(16)3-2-4-12(17)18(22)20-14/h2-9,21H,1H3,(H,20,22)
InChIKeyHJGMLSKPRBEADL-UHFFFAOYSA-N
XLogP3.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 60588923) is N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is COc1ccc(Cl)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is HJGMLSKPRBEADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4S/c1-25-10-5-6-13(19)15(9-10)21-26(23,24)16-8-7-14-17-11(16)3-2-4-12(17)18(22)20-14/h2-9,21H,1H3,(H,20,22).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 388.83 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 60588923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).