1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide

C13H18Cl2N2O2S — CID 119968379

IUPAC1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCC1CCCNC1
InChIInChI=1S/C13H18Cl2N2O2S/c14-12-4-11(5-13(15)6-12)9-20(18,19)17-8-10-2-1-3-16-7-10/h4-6,10,16-17H,1-3,7-9H2
InChIKeyLDTDLGUNCBTNSN-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.41
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide

1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide (PubChem CID 119968379) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide
PubChem CID119968379
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCC1CCCNC1
InChIInChI=1S/C13H18Cl2N2O2S/c14-12-4-11(5-13(15)6-12)9-20(18,19)17-8-10-2-1-3-16-7-10/h4-6,10,16-17H,1-3,7-9H2
InChIKeyLDTDLGUNCBTNSN-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
1-(3-methylphenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968347
N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165901
5-chloro-2-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120893998
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
5-bromo-2-chloro-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124698506
5-bromo-2-chloro-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968718
4-chloro-3-cyano-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968407
N-[[(3S)-piperidin-3-yl]methyl]but-3-ene-1-sulfonamide
CID 124681889
3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 63855498
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
5-chloro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-sulfonamide;hydrochloride
CID 119968668

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide (CID 119968379) is 1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide is O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCC1CCCNC1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide?
The InChIKey is LDTDLGUNCBTNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c14-12-4-11(5-13(15)6-12)9-20(18,19)17-8-10-2-1-3-16-7-10/h4-6,10,16-17H,1-3,7-9H2.
What are the key properties of 1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide?
1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-(piperidin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 119968379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).