N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide

C18H14N2O3S — CID 155563442

IUPACN-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
SMILESCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4)ccc1c23
InChIInChI=1S/C18H14N2O3S/c1-20-16-11-10-15(13-8-5-9-14(17(13)16)18(20)21)19-24(22,23)12-6-3-2-4-7-12/h2-11,19H,1H3
InChIKeySQCHOBVCTFQOHF-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.23
Rot. Bonds3

About N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide

N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide (PubChem CID 155563442) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
PubChem CID155563442
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC NameN-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
SMILESCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4)ccc1c23
InChIInChI=1S/C18H14N2O3S/c1-20-16-11-10-15(13-8-5-9-14(17(13)16)18(20)21)19-24(22,23)12-6-3-2-4-7-12/h2-11,19H,1H3
InChIKeySQCHOBVCTFQOHF-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The IUPAC name of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide (CID 155563442) is N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The canonical SMILES for N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide is CN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4)ccc1c23.
What is the InChIKey of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The InChIKey is SQCHOBVCTFQOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-20-16-11-10-15(13-8-5-9-14(17(13)16)18(20)21)19-24(22,23)12-6-3-2-4-7-12/h2-11,19H,1H3.
What are the key properties of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide has a molecular weight of 338.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide is sourced from PubChem (CID 155563442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).