2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide

C24H18Cl2N4O3S — CID 155517727

IUPAC2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
SMILESCN1C(=O)c2cc(-c3cnn(C4CC4)c3)cc3c(NS(=O)(=O)c4ccc(Cl)cc4Cl)ccc1c23
InChIInChI=1S/C24H18Cl2N4O3S/c1-29-21-6-5-20(28-34(32,33)22-7-2-15(25)10-19(22)26)17-8-13(9-18(23(17)21)24(29)31)14-11-27-30(12-14)16-3-4-16/h2,5-12,16,28H,3-4H2,1H3
InChIKeySOYQGJVXQCGPCK-UHFFFAOYSA-N
MW513.41 g/mol
LogP5.74
Rot. Bonds5

About 2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide

2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide (PubChem CID 155517727) has the molecular formula C24H18Cl2N4O3S and a molecular weight of 513.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
PubChem CID155517727
Molecular FormulaC24H18Cl2N4O3S
Molecular Weight513.41 g/mol
Exact Mass512.05
IUPAC Name2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
SMILESCN1C(=O)c2cc(-c3cnn(C4CC4)c3)cc3c(NS(=O)(=O)c4ccc(Cl)cc4Cl)ccc1c23
InChIInChI=1S/C24H18Cl2N4O3S/c1-29-21-6-5-20(28-34(32,33)22-7-2-15(25)10-19(22)26)17-8-13(9-18(23(17)21)24(29)31)14-11-27-30(12-14)16-3-4-16/h2,5-12,16,28H,3-4H2,1H3
InChIKeySOYQGJVXQCGPCK-UHFFFAOYSA-N
XLogP5.74
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.41
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide 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

4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
CID 155536900
4-chloro-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
CID 155549078
4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide
CID 155562141

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide (CID 155517727) is 2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide is CN1C(=O)c2cc(-c3cnn(C4CC4)c3)cc3c(NS(=O)(=O)c4ccc(Cl)cc4Cl)ccc1c23.
What is the InChIKey of 2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
The InChIKey is SOYQGJVXQCGPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O3S/c1-29-21-6-5-20(28-34(32,33)22-7-2-15(25)10-19(22)26)17-8-13(9-18(23(17)21)24(29)31)14-11-27-30(12-14)16-3-4-16/h2,5-12,16,28H,3-4H2,1H3.
What are the key properties of 2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide has a molecular weight of 513.41 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide is sourced from PubChem (CID 155517727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).