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

C24H19ClN4O3S — CID 155536900

IUPAC4-chloro-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)cc4)ccc1c23
InChIInChI=1S/C24H19ClN4O3S/c1-28-22-9-8-21(27-33(31,32)18-6-2-16(25)3-7-18)19-10-14(11-20(23(19)22)24(28)30)15-12-26-29(13-15)17-4-5-17/h2-3,6-13,17,27H,4-5H2,1H3
InChIKeyKRSQXGKXNOKHJV-UHFFFAOYSA-N
MW478.96 g/mol
LogP5.08
Rot. Bonds5

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

4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide (PubChem CID 155536900) has the molecular formula C24H19ClN4O3S and a molecular weight of 478.96 g/mol. Its IUPAC name is 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
PubChem CID155536900
Molecular FormulaC24H19ClN4O3S
Molecular Weight478.96 g/mol
Exact Mass478.09
IUPAC Name4-chloro-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)cc4)ccc1c23
InChIInChI=1S/C24H19ClN4O3S/c1-28-22-9-8-21(27-33(31,32)18-6-2-16(25)3-7-18)19-10-14(11-20(23(19)22)24(28)30)15-12-26-29(13-15)17-4-5-17/h2-3,6-13,17,27H,4-5H2,1H3
InChIKeyKRSQXGKXNOKHJV-UHFFFAOYSA-N
XLogP5.08
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.96
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
CID 155530564
4-chloro-N-[1-methyl-4-(1-methylpyrazol-4-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
CID 155549078
4-chloro-2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide
CID 155550228
2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
CID 155517727
4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide
CID 155562141
US12581252, Example I-1398
CID 176619270
US12581252, Example I-1535
CID 176619489
N-[(4-chlorophenyl)methyl]-N-(2-ethyl-1-oxo-3H-isoindol-5-yl)-1-methylpyrazole-3-sulfonamide
CID 49834526
1-acetyl-N-[(2-chlorophenyl)methyl]-2-methyl-1-(1-methylpyrazol-4-yl)sulfonylspiro[2H-indol-1-ium-3,4'-piperidine]-5-carboxamide
CID 118167920
1'-acetyl-N-[(2-chlorophenyl)methyl]-2-methyl-1-(1-methylpyrazol-4-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118178987
3-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630370
2-oxo-N-[2-(pyrazol-1-ylmethyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55895069

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide (CID 155536900) is 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-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)cc4)ccc1c23.
What is the InChIKey of 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
The InChIKey is KRSQXGKXNOKHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3S/c1-28-22-9-8-21(27-33(31,32)18-6-2-16(25)3-7-18)19-10-14(11-20(23(19)22)24(28)30)15-12-26-29(13-15)17-4-5-17/h2-3,6-13,17,27H,4-5H2,1H3.
What are the key properties of 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide?
4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide has a molecular weight of 478.96 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide is sourced from PubChem (CID 155536900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).