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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Related Compounds

2-(4-bromo-2-nitrophenyl)-1-phenylindole
CID 118197296
N,N-dimethyl-4-(2-phenylindol-1-yl)cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 143214514
N,N-diphenyl-4-(1-phenylindol-2-yl)aniline
CID 59993805
5-(benzenesulfonyl)-1,2-diphenylindole
CID 21424353
5-fluoro-2-(4-methylsulfonylphenyl)-1-phenylindole
CID 57129889
1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)indole
CID 57089316
1,2-bis(4-methylphenyl)indole
CID 151814608
1-(4-methylphenyl)-2-naphthalen-1-ylindole
CID 177416658
1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone
CID 59664118
1-(3-methylphenyl)-2-phenylindole
CID 101372494
4-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83023481
tert-butyl-(1-phenylindol-2-yl)phosphinic acid
CID 139167073

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).