3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide

C25H27N3O3S — CID 71844037

IUPAC3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)n3cccc/c3=N\C3CCCC3)c2)cc1
InChIInChI=1S/C25H27N3O3S/c1-19-13-15-22(16-14-19)27(2)32(30,31)23-11-7-8-20(18-23)25(29)28-17-6-5-12-24(28)26-21-9-3-4-10-21/h5-8,11-18,21H,3-4,9-10H2,1-2H3/b26-24+
InChIKeyTWVLYXHALISLHO-SHHOIMCASA-N
MW449.58 g/mol
LogP4.15
Rot. Bonds5

About 3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide

3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 71844037) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID71844037
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)n3cccc/c3=N\C3CCCC3)c2)cc1
InChIInChI=1S/C25H27N3O3S/c1-19-13-15-22(16-14-19)27(2)32(30,31)23-11-7-8-20(18-23)25(29)28-17-6-5-12-24(28)26-21-9-3-4-10-21/h5-8,11-18,21H,3-4,9-10H2,1-2H3/b26-24+
InChIKeyTWVLYXHALISLHO-SHHOIMCASA-N
XLogP4.15
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 56561398
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 119483403
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
[(1S)-2-oxocyclohexyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273491
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385924
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
1-[3-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 134035837
N-methyl-N-(4-methylphenyl)-3-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzenesulfonamide
CID 26860472
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604741
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 98771871

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 71844037) is 3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)n3cccc/c3=N\C3CCCC3)c2)cc1.
What is the InChIKey of 3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is TWVLYXHALISLHO-SHHOIMCASA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-19-13-15-22(16-14-19)27(2)32(30,31)23-11-7-8-20(18-23)25(29)28-17-6-5-12-24(28)26-21-9-3-4-10-21/h5-8,11-18,21H,3-4,9-10H2,1-2H3/b26-24+.
What are the key properties of 3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 449.58 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 71844037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).