N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C20H15N5O3S — CID 52699604

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCn1cnnc1-c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C20H15N5O3S/c1-25-11-21-23-19(25)12-5-2-3-8-15(12)24-29(27,28)17-10-9-16-18-13(17)6-4-7-14(18)20(26)22-16/h2-11,24H,1H3,(H,22,26)
InChIKeyVEGXYDXUPJEZFO-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.00
Rot. Bonds4

About N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 52699604) has the molecular formula C20H15N5O3S and a molecular weight of 405.44 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID52699604
Molecular FormulaC20H15N5O3S
Molecular Weight405.44 g/mol
Exact Mass405.09
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESCn1cnnc1-c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
InChIInChI=1S/C20H15N5O3S/c1-25-11-21-23-19(25)12-5-2-3-8-15(12)24-29(27,28)17-10-9-16-18-13(17)6-4-7-14(18)20(26)22-16/h2-11,24H,1H3,(H,22,26)
InChIKeyVEGXYDXUPJEZFO-UHFFFAOYSA-N
XLogP3.00
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide with MolForge

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Related Compounds

N-(2-methylquinolin-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 166179424
4-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-sulfonamide
CID 60579200
N-(2-chloro-4-methylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 134025383
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 55896507
N-(3-methylphenyl)-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]benzamide
CID 55662988
N-(2,5-dichlorophenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 5189210
N-(3-chloro-2-morpholin-4-ylphenyl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 55663293
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55662957
3-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]naphthalene-2-carboxylic acid
CID 52874674
5-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]thiophene-2-sulfonamide
CID 60532352
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 55895798
5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 47062898

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 52699604) is N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is Cn1cnnc1-c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is VEGXYDXUPJEZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S/c1-25-11-21-23-19(25)12-5-2-3-8-15(12)24-29(27,28)17-10-9-16-18-13(17)6-4-7-14(18)20(26)22-16/h2-11,24H,1H3,(H,22,26).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 405.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 52699604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).