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

C19H16N2O4S — CID 1188103

IUPACN-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C19H16N2O4S/c1-11-6-8-16(25-2)15(10-11)21-26(23,24)17-9-7-14-18-12(17)4-3-5-13(18)19(22)20-14/h3-10,21H,1-2H3,(H,20,22)
InChIKeyCWTOKPRCKAKKQA-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.52
Rot. Bonds4

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

N-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 1188103) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID1188103
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C19H16N2O4S/c1-11-6-8-16(25-2)15(10-11)21-26(23,24)17-9-7-14-18-12(17)4-3-5-13(18)19(22)20-14/h3-10,21H,1-2H3,(H,20,22)
InChIKeyCWTOKPRCKAKKQA-UHFFFAOYSA-N
XLogP3.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 1188103) is N-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is CWTOKPRCKAKKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-11-6-8-16(25-2)15(10-11)21-26(23,24)17-9-7-14-18-12(17)4-3-5-13(18)19(22)20-14/h3-10,21H,1-2H3,(H,20,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 368.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1188103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).