2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide

C24H32ClN3O3S — CID 94027819

IUPAC2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCCN3C[C@H](C)C[C@H](C)C3)c2)cc1
InChIInChI=1S/C24H32ClN3O3S/c1-17-5-8-21(9-6-17)32(30,31)27-20-7-10-23(25)22(14-20)24(29)26-11-4-12-28-15-18(2)13-19(3)16-28/h5-10,14,18-19,27H,4,11-13,15-16H2,1-3H3,(H,26,29)/t18-,19+
InChIKeyGPDCZHHVRBDUSP-KDURUIRLSA-N
MW478.06 g/mol
LogP4.55
Rot. Bonds8

About 2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide

2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 94027819) has the molecular formula C24H32ClN3O3S and a molecular weight of 478.06 g/mol. Its IUPAC name is 2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID94027819
Molecular FormulaC24H32ClN3O3S
Molecular Weight478.06 g/mol
Exact Mass477.19
IUPAC Name2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCCN3C[C@H](C)C[C@H](C)C3)c2)cc1
InChIInChI=1S/C24H32ClN3O3S/c1-17-5-8-21(9-6-17)32(30,31)27-20-7-10-23(25)22(14-20)24(29)26-11-4-12-28-15-18(2)13-19(3)16-28/h5-10,14,18-19,27H,4,11-13,15-16H2,1-3H3,(H,26,29)/t18-,19+
InChIKeyGPDCZHHVRBDUSP-KDURUIRLSA-N
XLogP4.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.06
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778171
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484
4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 166180565
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99972490
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55735264
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 55847760
2-chloro-N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772238
2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92682038
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide (CID 94027819) is 2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCCN3C[C@H](C)C[C@H](C)C3)c2)cc1.
What is the InChIKey of 2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is GPDCZHHVRBDUSP-KDURUIRLSA-N. The full InChI is InChI=1S/C24H32ClN3O3S/c1-17-5-8-21(9-6-17)32(30,31)27-20-7-10-23(25)22(14-20)24(29)26-11-4-12-28-15-18(2)13-19(3)16-28/h5-10,14,18-19,27H,4,11-13,15-16H2,1-3H3,(H,26,29)/t18-,19+.
What are the key properties of 2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 478.06 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 94027819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).