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

C18H13ClN2O3S — CID 15944578

IUPACN-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4Cl)ccc1c23
InChIInChI=1S/C18H13ClN2O3S/c1-21-15-9-10-16(11-5-4-6-12(17(11)15)18(21)22)25(23,24)20-14-8-3-2-7-13(14)19/h2-10,20H,1H3
InChIKeyXZIKXQPZLCRARC-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.88
Rot. Bonds3

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

N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 15944578) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID15944578
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC NameN-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4Cl)ccc1c23
InChIInChI=1S/C18H13ClN2O3S/c1-21-15-9-10-16(11-5-4-6-12(17(11)15)18(21)22)25(23,24)20-14-8-3-2-7-13(14)19/h2-10,20H,1H3
InChIKeyXZIKXQPZLCRARC-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 15944578) is N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide is CN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4Cl)ccc1c23.
What is the InChIKey of N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is XZIKXQPZLCRARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c1-21-15-9-10-16(11-5-4-6-12(17(11)15)18(21)22)25(23,24)20-14-8-3-2-7-13(14)19/h2-10,20H,1H3.
What are the key properties of N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 372.83 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 15944578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).