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

C25H22N4O4S — CID 155564565

IUPACN-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4cnn(C5CC5)c4)cc13)C(=O)N2C
InChIInChI=1S/C25H22N4O4S/c1-28-21-10-9-20(27-34(31,32)23-6-4-3-5-22(23)33-2)18-11-15(12-19(24(18)21)25(28)30)16-13-26-29(14-16)17-7-8-17/h3-6,9-14,17,27H,7-8H2,1-2H3
InChIKeyUXBVVFYTQOYHCV-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.44
Rot. Bonds6

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

N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide (PubChem CID 155564565) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
PubChem CID155564565
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC NameN-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4cnn(C5CC5)c4)cc13)C(=O)N2C
InChIInChI=1S/C25H22N4O4S/c1-28-21-10-9-20(27-34(31,32)23-6-4-3-5-22(23)33-2)18-11-15(12-19(24(18)21)25(28)30)16-13-26-29(14-16)17-7-8-17/h3-6,9-14,17,27H,7-8H2,1-2H3
InChIKeyUXBVVFYTQOYHCV-UHFFFAOYSA-N
XLogP4.44
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide (CID 155564565) is N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4cnn(C5CC5)c4)cc13)C(=O)N2C.
What is the InChIKey of N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide?
The InChIKey is UXBVVFYTQOYHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-28-21-10-9-20(27-34(31,32)23-6-4-3-5-22(23)33-2)18-11-15(12-19(24(18)21)25(28)30)16-13-26-29(14-16)17-7-8-17/h3-6,9-14,17,27H,7-8H2,1-2H3.
What are the key properties of N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide?
N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide has a molecular weight of 474.54 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropylpyrazol-4-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 155564565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).