4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide

C22H21N3O6S2 — CID 155676859

IUPAC4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide
SMILESCOc1ccc(S(=O)(=O)NNc2[nH]c3ccccc3c2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H21N3O6S2/c1-30-15-7-11-17(12-8-15)32(26,27)21-19-5-3-4-6-20(19)23-22(21)24-25-33(28,29)18-13-9-16(31-2)10-14-18/h3-14,23-25H,1-2H3
InChIKeyPHULXIQNTJBURK-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.32
Rot. Bonds8

About 4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide

4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide (PubChem CID 155676859) has the molecular formula C22H21N3O6S2 and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide
PubChem CID155676859
Molecular FormulaC22H21N3O6S2
Molecular Weight487.56 g/mol
Exact Mass487.09
IUPAC Name4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide
SMILESCOc1ccc(S(=O)(=O)NNc2[nH]c3ccccc3c2S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H21N3O6S2/c1-30-15-7-11-17(12-8-15)32(26,27)21-19-5-3-4-6-20(19)23-22(21)24-25-33(28,29)18-13-9-16(31-2)10-14-18/h3-14,23-25H,1-2H3
InChIKeyPHULXIQNTJBURK-UHFFFAOYSA-N
XLogP3.32
TPSA126.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide?
The IUPAC name of 4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide (CID 155676859) is 4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide.
What is the SMILES notation for 4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide?
The canonical SMILES for 4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide is COc1ccc(S(=O)(=O)NNc2[nH]c3ccccc3c2S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide?
The InChIKey is PHULXIQNTJBURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S2/c1-30-15-7-11-17(12-8-15)32(26,27)21-19-5-3-4-6-20(19)23-22(21)24-25-33(28,29)18-13-9-16(31-2)10-14-18/h3-14,23-25H,1-2H3.
What are the key properties of 4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide?
4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide has a molecular weight of 487.56 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[3-(4-methoxyphenyl)sulfonyl-1H-indol-2-yl]benzenesulfonohydrazide is sourced from PubChem (CID 155676859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).