N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide

C26H28ClN3O3S — CID 155227983

IUPACN-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide
SMILESCc1c(C=C2CCN(C(=O)C3CCCC3)CC2)cc(Cl)cc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C26H28ClN3O3S/c1-18-22(13-19-9-11-30(12-10-19)26(31)21-6-2-3-7-21)15-23(27)16-25(18)29-34(32,33)24-8-4-5-20(14-24)17-28/h4-5,8,13-16,21,29H,2-3,6-7,9-12H2,1H3
InChIKeyVXEQHQBRKQDVOH-UHFFFAOYSA-N
MW498.05 g/mol
LogP5.52
Rot. Bonds5

About N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide

N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide (PubChem CID 155227983) has the molecular formula C26H28ClN3O3S and a molecular weight of 498.05 g/mol. Its IUPAC name is N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide
PubChem CID155227983
Molecular FormulaC26H28ClN3O3S
Molecular Weight498.05 g/mol
Exact Mass497.15
IUPAC NameN-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide
SMILESCc1c(C=C2CCN(C(=O)C3CCCC3)CC2)cc(Cl)cc1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C26H28ClN3O3S/c1-18-22(13-19-9-11-30(12-10-19)26(31)21-6-2-3-7-21)15-23(27)16-25(18)29-34(32,33)24-8-4-5-20(14-24)17-28/h4-5,8,13-16,21,29H,2-3,6-7,9-12H2,1H3
InChIKeyVXEQHQBRKQDVOH-UHFFFAOYSA-N
XLogP5.52
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.05
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyanopyridine-3-carboxamide
CID 155228058
5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide
CID 155228042
N-[4-chloro-2-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-ylidene]methyl]-6-methylphenyl]-3-cyanobenzamide
CID 160962067
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-[5-chloro-3-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide
CID 175060337
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
2-chloro-N-[4-chloro-2-[(3-cyanophenyl)sulfonylamino]phenyl]acetamide
CID 45273664
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 82722836
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
3-acetyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55767362
N-(3-chloro-2-methylphenyl)-5-(cyclobutanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
CID 53156399
3-cyano-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 95149605

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide?
The IUPAC name of N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide (CID 155227983) is N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide?
The canonical SMILES for N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide is Cc1c(C=C2CCN(C(=O)C3CCCC3)CC2)cc(Cl)cc1NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide?
The InChIKey is VXEQHQBRKQDVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3S/c1-18-22(13-19-9-11-30(12-10-19)26(31)21-6-2-3-7-21)15-23(27)16-25(18)29-34(32,33)24-8-4-5-20(14-24)17-28/h4-5,8,13-16,21,29H,2-3,6-7,9-12H2,1H3.
What are the key properties of N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide?
N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide has a molecular weight of 498.05 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide is sourced from PubChem (CID 155227983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).