N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C23H20FN3O3S — CID 56515140

IUPACN-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C#N)c3ccccc3F)cc2)cc1
InChIInChI=1S/C23H20FN3O3S/c1-16-7-13-19(14-8-16)31(29,30)27(2)18-11-9-17(10-12-18)23(28)26-22(15-25)20-5-3-4-6-21(20)24/h3-14,22H,1-2H3,(H,26,28)
InChIKeyMIUWLOWAYOJYHE-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.95
Rot. Bonds6

About N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 56515140) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID56515140
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C#N)c3ccccc3F)cc2)cc1
InChIInChI=1S/C23H20FN3O3S/c1-16-7-13-19(14-8-16)31(29,30)27(2)18-11-9-17(10-12-18)23(28)26-22(15-25)20-5-3-4-6-21(20)24/h3-14,22H,1-2H3,(H,26,28)
InChIKeyMIUWLOWAYOJYHE-UHFFFAOYSA-N
XLogP3.95
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano-(2-fluorophenyl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 56516682
N-[cyano-(2-fluorophenyl)methyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 56572373
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 132617346
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 24538311
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100563895
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578950
N-(3,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1294762
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
4-[benzenesulfonyl(methyl)amino]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 43885797
N-[furan-2-yl(phenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55405944
N-[cyano-(2-methylphenyl)methyl]-4-fluorobenzamide
CID 82123285

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 56515140) is N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC(C#N)c3ccccc3F)cc2)cc1.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is MIUWLOWAYOJYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-16-7-13-19(14-8-16)31(29,30)27(2)18-11-9-17(10-12-18)23(28)26-22(15-25)20-5-3-4-6-21(20)24/h3-14,22H,1-2H3,(H,26,28).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 437.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 56515140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).