N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide

C14H22N2O4S2 — CID 58694755

IUPACN-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C14H22N2O4S2/c1-21(17,18)16-13-2-4-14(5-3-13)22(19,20)11-8-12-6-9-15-10-7-12/h2-5,12,15-16H,6-11H2,1H3
InChIKeyAYVWITCMDJNRCA-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.22
Rot. Bonds6

About N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide

N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide (PubChem CID 58694755) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide
PubChem CID58694755
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC NameN-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C14H22N2O4S2/c1-21(17,18)16-13-2-4-14(5-3-13)22(19,20)11-8-12-6-9-15-10-7-12/h2-5,12,15-16H,6-11H2,1H3
InChIKeyAYVWITCMDJNRCA-UHFFFAOYSA-N
XLogP1.22
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride
CID 14130184
N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892098
N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide
CID 19992428
N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
N-(4-piperidin-4-ylphenyl)methanesulfonamide
CID 117389477
N-(4-piperidin-4-yloxyphenyl)methanesulfonamide
CID 19420800
4-[2-(3-bromophenyl)sulfonylethyl]piperidine
CID 57195394
N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide
CID 62211718
N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892692
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411
4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine
CID 158767557
N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline
CID 63629751

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide (CID 58694755) is N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(S(=O)(=O)CCC2CCNCC2)cc1.
What is the InChIKey of N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide?
The InChIKey is AYVWITCMDJNRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-21(17,18)16-13-2-4-14(5-3-13)22(19,20)11-8-12-6-9-15-10-7-12/h2-5,12,15-16H,6-11H2,1H3.
What are the key properties of N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide?
N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide has a molecular weight of 346.47 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-piperidin-4-ylethylsulfonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 58694755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).