N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide

C20H18N2O3S — CID 15944488

IUPACN-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c1
InChIInChI=1S/C20H18N2O3S/c1-12-9-13(2)11-14(10-12)21-26(24,25)18-8-7-17-19-15(18)5-4-6-16(19)20(23)22(17)3/h4-11,21H,1-3H3
InChIKeyYDHURUUHLKXIAJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.85
Rot. Bonds3

About N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide

N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 15944488) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID15944488
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c1
InChIInChI=1S/C20H18N2O3S/c1-12-9-13(2)11-14(10-12)21-26(24,25)18-8-7-17-19-15(18)5-4-6-16(19)20(23)22(17)3/h4-11,21H,1-3H3
InChIKeyYDHURUUHLKXIAJ-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944531
N-(2-chlorophenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944578
6-[(1-methyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-1H-indole-3-carboxylic acid
CID 166181631
1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
CID 15944491
methyl 5-[(1-methyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-1-benzofuran-2-carboxylate
CID 166181647
4-chloro-2-methyl-6-[(1-methyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]benzoic acid
CID 166212231
N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944466
2-methyl-N-naphthalen-2-yl-1,3-dioxobenzo[de]isoquinoline-6-sulfonamide
CID 75366563
1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide
CID 90670353
1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide
CID 118197350
N-[2-(2-hydroxyphenyl)ethyl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 167890909
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 167832098

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 15944488) is N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is YDHURUUHLKXIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-12-9-13(2)11-14(10-12)21-26(24,25)18-8-7-17-19-15(18)5-4-6-16(19)20(23)22(17)3/h4-11,21H,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 366.44 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-methyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 15944488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).