N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide

C20H20N4O3S — CID 9121690

IUPACN-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C(C)=N\Nc3ccccn3)cc2)cc1
InChIInChI=1S/C20H20N4O3S/c1-15(22-23-20-5-3-4-14-21-20)16-6-12-19(13-7-16)28(25,26)24-17-8-10-18(27-2)11-9-17/h3-14,24H,1-2H3,(H,21,23)/b22-15-
InChIKeyQBIHUCDWCZKZSO-JCMHNJIXSA-N
MW396.47 g/mol
LogP3.73
Rot. Bonds7

About N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide

N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide (PubChem CID 9121690) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
PubChem CID9121690
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/C(C)=N\Nc3ccccn3)cc2)cc1
InChIInChI=1S/C20H20N4O3S/c1-15(22-23-20-5-3-4-14-21-20)16-6-12-19(13-7-16)28(25,26)24-17-8-10-18(27-2)11-9-17/h3-14,24H,1-2H3,(H,21,23)/b22-15-
InChIKeyQBIHUCDWCZKZSO-JCMHNJIXSA-N
XLogP3.73
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 121473240
4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 7950665
N-benzyl-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide
CID 9121640
(2S)-2-[[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenyl]sulfonylamino]propanoic acid
CID 8978780
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
ethyl N-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]carbamate
CID 9075807
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
1-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]-3-propan-2-ylthiourea
CID 7934545
4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 25391222
N-[1-(4-phenylphenyl)ethylideneamino]pyridin-2-amine
CID 3582287
4-methoxy-N-phenylbenzenesulfonamide
CID 835273

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide (CID 9121690) is N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(/C(C)=N\Nc3ccccn3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide?
The InChIKey is QBIHUCDWCZKZSO-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-15(22-23-20-5-3-4-14-21-20)16-6-12-19(13-7-16)28(25,26)24-17-8-10-18(27-2)11-9-17/h3-14,24H,1-2H3,(H,21,23)/b22-15-.
What are the key properties of N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide?
N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonamide is sourced from PubChem (CID 9121690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).