N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

C19H20Cl2N2O3S — CID 30378930

IUPACN-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c20-16-8-9-17(21)18(12-16)22-19(24)15-6-4-14(5-7-15)13-27(25,26)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24)
InChIKeyDMFNCZSNZPZYKB-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.56
Rot. Bonds5

About N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 30378930) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID30378930
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC NameN-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H20Cl2N2O3S/c20-16-8-9-17(21)18(12-16)22-19(24)15-6-4-14(5-7-15)13-27(25,26)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24)
InChIKeyDMFNCZSNZPZYKB-UHFFFAOYSA-N
XLogP4.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30395840
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46770290
N-(2,5-dichlorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642633
N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99955558
4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 8759383
N-(4-iodo-2-methylphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46763294
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 26893607
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99954898
N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763734

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 30378930) is N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is DMFNCZSNZPZYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c20-16-8-9-17(21)18(12-16)22-19(24)15-6-4-14(5-7-15)13-27(25,26)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24).
What are the key properties of N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 427.35 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 30378930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).