4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide

C24H25N3O3S — CID 6174804

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
SMILESCC(C)c1ccc(/C=N\NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3S/c1-18(2)20-11-9-19(10-12-20)17-25-26-24(28)21-13-15-22(16-14-21)27(3)31(29,30)23-7-5-4-6-8-23/h4-18H,1-3H3,(H,26,28)/b25-17-
InChIKeyWELXHRNTNCBPIF-UQQQWYQISA-N
MW435.55 g/mol
LogP4.40
Rot. Bonds7

About 4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide (PubChem CID 6174804) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
PubChem CID6174804
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
SMILESCC(C)c1ccc(/C=N\NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3S/c1-18(2)20-11-9-19(10-12-20)17-25-26-24(28)21-13-15-22(16-14-21)27(3)31(29,30)23-7-5-4-6-8-23/h4-18H,1-3H3,(H,26,28)/b25-17-
InChIKeyWELXHRNTNCBPIF-UQQQWYQISA-N
XLogP4.40
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[benzenesulfonyl(methyl)amino]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 43878814
4-[benzyl(methylsulfonyl)amino]-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 5139007
N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide
CID 28588387
4-[benzenesulfonyl(methyl)amino]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
CID 2467224
4-(benzenesulfonamido)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 6283870
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126150848
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126124875
4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 126126939
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126122035
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100563895
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide
CID 92648429
N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126146513

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide (CID 6174804) is 4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide is CC(C)c1ccc(/C=N\NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide?
The InChIKey is WELXHRNTNCBPIF-UQQQWYQISA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-18(2)20-11-9-19(10-12-20)17-25-26-24(28)21-13-15-22(16-14-21)27(3)31(29,30)23-7-5-4-6-8-23/h4-18H,1-3H3,(H,26,28)/b25-17-.
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide has a molecular weight of 435.55 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6174804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).