N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide

C19H20Cl2N2O3S — CID 56581732

IUPACN-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
SMILESO=C(c1ccccc1)N1CCCC(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H20Cl2N2O3S/c20-17-9-8-14(11-18(17)21)13-27(25,26)22-16-7-4-10-23(12-16)19(24)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16,22H,4,7,10,12-13H2
InChIKeyVLTZGBVVGPNWPB-UHFFFAOYSA-N
MW427.35 g/mol
LogP3.72
Rot. Bonds5

About N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide

N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide (PubChem CID 56581732) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
PubChem CID56581732
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC NameN-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
SMILESO=C(c1ccccc1)N1CCCC(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H20Cl2N2O3S/c20-17-9-8-14(11-18(17)21)13-27(25,26)22-16-7-4-10-23(12-16)19(24)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16,22H,4,7,10,12-13H2
InChIKeyVLTZGBVVGPNWPB-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56581910
6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile
CID 96549568
tert-butyl (3R)-3-[(3-chlorophenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 97171783
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 119488374
[3-(methylamino)piperidin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone;hydrochloride
CID 119488373
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 108563505
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
(3S)-3-[(3-methyl-4-phenylmethoxyphenyl)methylsulfonylamino]pyrrolidine-1-carboxylic acid
CID 175590603
1-(3-chloro-4-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]methanesulfonamide
CID 126770509

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide (CID 56581732) is N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide is O=C(c1ccccc1)N1CCCC(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide?
The InChIKey is VLTZGBVVGPNWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c20-17-9-8-14(11-18(17)21)13-27(25,26)22-16-7-4-10-23(12-16)19(24)15-5-2-1-3-6-15/h1-3,5-6,8-9,11,16,22H,4,7,10,12-13H2.
What are the key properties of N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide?
N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide has a molecular weight of 427.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 56581732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).