N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide

C15H17BrN2O2S — CID 61067284

IUPACN-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide
SMILESCN(Cc1cccc(Br)c1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C15H17BrN2O2S/c1-18(12-13-5-4-6-14(16)11-13)21(19,20)10-8-15-7-2-3-9-17-15/h2-7,9,11H,8,10,12H2,1H3
InChIKeyONIUKSGIYUTBAL-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.85
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide

N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide (PubChem CID 61067284) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide
PubChem CID61067284
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide
SMILESCN(Cc1cccc(Br)c1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C15H17BrN2O2S/c1-18(12-13-5-4-6-14(16)11-13)21(19,20)10-8-15-7-2-3-9-17-15/h2-7,9,11H,8,10,12H2,1H3
InChIKeyONIUKSGIYUTBAL-UHFFFAOYSA-N
XLogP2.85
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-2-methoxy-N-methylethanesulfonamide
CID 55014212
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide
CID 61045073
3-[(3-bromophenyl)methyl-methylsulfamoyl]propanoic acid
CID 61041127
N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 115756308
ethyl 2-[methyl(2-pyridin-2-ylethylsulfonyl)amino]acetate
CID 55008366
N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide
CID 106545670
N-[(5-bromo-3-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 115877394
5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 60660829
1-chloro-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 63666756
1-cyano-N-methyl-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 55208495
N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 79120995

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide (CID 61067284) is N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide is CN(Cc1cccc(Br)c1)S(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide?
The InChIKey is ONIUKSGIYUTBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-18(12-13-5-4-6-14(16)11-13)21(19,20)10-8-15-7-2-3-9-17-15/h2-7,9,11H,8,10,12H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide?
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 61067284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).