3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide

C22H22N4O2S — CID 139620429

IUPAC3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc(-c2cc3ccccc3n2-c2ccccc2)c(N)c1
InChIInChI=1S/C22H22N4O2S/c1-25(2)24-29(27,28)18-12-13-19(20(23)15-18)22-14-16-8-6-7-11-21(16)26(22)17-9-4-3-5-10-17/h3-15,24H,23H2,1-2H3
InChIKeyOJKQYFMEZOVFJD-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.63
Rot. Bonds5

About 3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide

3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide (PubChem CID 139620429) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide.

Molecular Properties

Compound Name3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide
PubChem CID139620429
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc(-c2cc3ccccc3n2-c2ccccc2)c(N)c1
InChIInChI=1S/C22H22N4O2S/c1-25(2)24-29(27,28)18-12-13-19(20(23)15-18)22-14-16-8-6-7-11-21(16)26(22)17-9-4-3-5-10-17/h3-15,24H,23H2,1-2H3
InChIKeyOJKQYFMEZOVFJD-UHFFFAOYSA-N
XLogP3.63
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide?
The IUPAC name of 3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide (CID 139620429) is 3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide.
What is the SMILES notation for 3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide?
The canonical SMILES for 3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide is CN(C)NS(=O)(=O)c1ccc(-c2cc3ccccc3n2-c2ccccc2)c(N)c1.
What is the InChIKey of 3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide?
The InChIKey is OJKQYFMEZOVFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-25(2)24-29(27,28)18-12-13-19(20(23)15-18)22-14-16-8-6-7-11-21(16)26(22)17-9-4-3-5-10-17/h3-15,24H,23H2,1-2H3.
What are the key properties of 3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide?
3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide has a molecular weight of 406.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N',N'-dimethyl-4-(1-phenylindol-2-yl)benzenesulfonohydrazide is sourced from PubChem (CID 139620429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).