2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide

C25H24N4O4S — CID 155524426

IUPAC2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide
SMILESCCCn1cc(-c2cc3c4c(ccc(NS(=O)(=O)c5ccccc5OC)c4c2)N(C)C3=O)cn1
InChIInChI=1S/C25H24N4O4S/c1-4-11-29-15-17(14-26-29)16-12-18-20(9-10-21-24(18)19(13-16)25(30)28(21)2)27-34(31,32)23-8-6-5-7-22(23)33-3/h5-10,12-15,27H,4,11H2,1-3H3
InChIKeyVQSCASYQNZDOTF-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.51
Rot. Bonds7

About 2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide

2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide (PubChem CID 155524426) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide
PubChem CID155524426
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide
SMILESCCCn1cc(-c2cc3c4c(ccc(NS(=O)(=O)c5ccccc5OC)c4c2)N(C)C3=O)cn1
InChIInChI=1S/C25H24N4O4S/c1-4-11-29-15-17(14-26-29)16-12-18-20(9-10-21-24(18)19(13-16)25(30)28(21)2)27-34(31,32)23-8-6-5-7-22(23)33-3/h5-10,12-15,27H,4,11H2,1-3H3
InChIKeyVQSCASYQNZDOTF-UHFFFAOYSA-N
XLogP4.51
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide (CID 155524426) is 2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide is CCCn1cc(-c2cc3c4c(ccc(NS(=O)(=O)c5ccccc5OC)c4c2)N(C)C3=O)cn1.
What is the InChIKey of 2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide?
The InChIKey is VQSCASYQNZDOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-4-11-29-15-17(14-26-29)16-12-18-20(9-10-21-24(18)19(13-16)25(30)28(21)2)27-34(31,32)23-8-6-5-7-22(23)33-3/h5-10,12-15,27H,4,11H2,1-3H3.
What are the key properties of 2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide?
2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide has a molecular weight of 476.56 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-methyl-2-oxo-4-(1-propylpyrazol-4-yl)benzo[cd]indol-6-yl]benzenesulfonamide is sourced from PubChem (CID 155524426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).