N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C22H27N3O3S — CID 126146935

IUPACN-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN=C3CCCCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O3S/c1-17-9-15-21(16-10-17)29(27,28)25(2)20-13-11-18(12-14-20)22(26)24-23-19-7-5-3-4-6-8-19/h9-16H,3-8H2,1-2H3,(H,24,26)
InChIKeyHIFKAZNXTOMQDR-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.26
Rot. Bonds5

About N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 126146935) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID126146935
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN=C3CCCCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O3S/c1-17-9-15-21(16-10-17)29(27,28)25(2)20-13-11-18(12-14-20)22(26)24-23-19-7-5-3-4-6-8-19/h9-16H,3-8H2,1-2H3,(H,24,26)
InChIKeyHIFKAZNXTOMQDR-UHFFFAOYSA-N
XLogP4.26
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.26
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

N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide
CID 126122432
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(propan-2-ylideneamino)benzamide
CID 126143327
N-(cyclododecylideneamino)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126034660
N-(cyclohexylideneamino)-4-(diethylamino)benzamide
CID 7929020
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126124709
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
N-(2,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9164980

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 126146935) is N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN=C3CCCCCC3)cc2)cc1.
What is the InChIKey of N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is HIFKAZNXTOMQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-17-9-15-21(16-10-17)29(27,28)25(2)20-13-11-18(12-14-20)22(26)24-23-19-7-5-3-4-6-8-19/h9-16H,3-8H2,1-2H3,(H,24,26).
What are the key properties of N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 413.54 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 126146935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).