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

C19H16N2O3S — CID 3108091

IUPACN-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C19H16N2O3S/c1-11-6-7-12(2)16(10-11)21-25(23,24)17-9-8-15-18-13(17)4-3-5-14(18)19(22)20-15/h3-10,21H,1-2H3,(H,20,22)
InChIKeyBGVYRODZDHWAHW-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.82
Rot. Bonds3

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

N-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 3108091) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID3108091
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1
InChIInChI=1S/C19H16N2O3S/c1-11-6-7-12(2)16(10-11)21-25(23,24)17-9-8-15-18-13(17)4-3-5-14(18)19(22)20-15/h3-10,21H,1-2H3,(H,20,22)
InChIKeyBGVYRODZDHWAHW-UHFFFAOYSA-N
XLogP3.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 3108091) is N-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is BGVYRODZDHWAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-11-6-7-12(2)16(10-11)21-25(23,24)17-9-8-15-18-13(17)4-3-5-14(18)19(22)20-15/h3-10,21H,1-2H3,(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 352.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 3108091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).