N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide

C14H21BrN2O2S — CID 107626693

IUPACN-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide
SMILESCc1c(Br)cccc1NS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C14H21BrN2O2S/c1-11-13(15)6-4-7-14(11)17-20(18,19)10-8-12-5-2-3-9-16-12/h4,6-7,12,16-17H,2-3,5,8-10H2,1H3
InChIKeyWIHQZQOSRWSOAW-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.03
Rot. Bonds5

About N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide

N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide (PubChem CID 107626693) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide
PubChem CID107626693
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC NameN-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide
SMILESCc1c(Br)cccc1NS(=O)(=O)CCC1CCCCN1
InChIInChI=1S/C14H21BrN2O2S/c1-11-13(15)6-4-7-14(11)17-20(18,19)10-8-12-5-2-3-9-16-12/h4,6-7,12,16-17H,2-3,5,8-10H2,1H3
InChIKeyWIHQZQOSRWSOAW-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 107642155
N-(3-bromo-2-methylphenyl)-2-piperazin-1-ylethanesulfonamide
CID 107626682
N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 66256676
N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 103586278
N-(3-fluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 60865299
N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
CID 60864201
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
N-(4-bromo-2,6-difluorophenyl)-2-piperidin-2-ylethanesulfonamide
CID 65499786
N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 54973736
2-piperidin-2-yl-N-thiophen-3-ylethanesulfonamide
CID 66353750
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 114388291
2-[2-(4-bromophenyl)sulfonylethyl]piperidine
CID 134086037

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide (CID 107626693) is N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide is Cc1c(Br)cccc1NS(=O)(=O)CCC1CCCCN1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide?
The InChIKey is WIHQZQOSRWSOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-11-13(15)6-4-7-14(11)17-20(18,19)10-8-12-5-2-3-9-16-12/h4,6-7,12,16-17H,2-3,5,8-10H2,1H3.
What are the key properties of N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide?
N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 107626693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).