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

C24H18ClFN4O3S — CID 155562141

IUPAC4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide
SMILESCN1C(=O)c2cc(-c3cnn(C4CC4)c3)cc3c(NS(=O)(=O)c4ccc(Cl)cc4F)ccc1c23
InChIInChI=1S/C24H18ClFN4O3S/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
InChIKeyMGYDRYYHJVKGIP-UHFFFAOYSA-N
MW496.95 g/mol
LogP5.22
Rot. Bonds5

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

4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide (PubChem CID 155562141) has the molecular formula C24H18ClFN4O3S and a molecular weight of 496.95 g/mol. Its IUPAC name is 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide
PubChem CID155562141
Molecular FormulaC24H18ClFN4O3S
Molecular Weight496.95 g/mol
Exact Mass496.08
IUPAC Name4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide
SMILESCN1C(=O)c2cc(-c3cnn(C4CC4)c3)cc3c(NS(=O)(=O)c4ccc(Cl)cc4F)ccc1c23
InChIInChI=1S/C24H18ClFN4O3S/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
InChIKeyMGYDRYYHJVKGIP-UHFFFAOYSA-N
XLogP5.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.95
LogP ≤ 55.22
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-[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
2,4-dichloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
CID 155517727
2-fluoro-N-[6-(1-methylpyrazol-4-yl)-2-oxo-3-propan-2-ylidene-1H-indol-5-yl]benzenesulfonamide
CID 177376974
US12581252, Example I-811
CID 166821839
US12581252, Example I-1336
CID 166821979
US12581252, Example I-942
CID 166822139
US12581252, Example I-1498
CID 166822776
US12581252, Example I-1021
CID 176618778
US12581252, Example I-1022
CID 176618960
US12581252, Example I-1398
CID 176619270

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]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide (CID 155562141) is 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide is CN1C(=O)c2cc(-c3cnn(C4CC4)c3)cc3c(NS(=O)(=O)c4ccc(Cl)cc4F)ccc1c23.
What is the InChIKey of 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide?
The InChIKey is MGYDRYYHJVKGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O3S/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 4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide?
4-chloro-N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-fluorobenzenesulfonamide has a molecular weight of 496.95 g/mol, XLogP of 5.22, 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]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 155562141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).