N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide

C21H21BrN2O3S — CID 56653356

IUPACN-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1-c1cncc(Br)c1OCCc1ccccc1
InChIInChI=1S/C21H21BrN2O3S/c1-15-12-17(24-28(2,25)26)8-9-18(15)19-13-23-14-20(22)21(19)27-11-10-16-6-4-3-5-7-16/h3-9,12-14,24H,10-11H2,1-2H3
InChIKeyMPIDRIIZSUTDHM-UHFFFAOYSA-N
MW461.38 g/mol
LogP4.81
Rot. Bonds7

About N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide

N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide (PubChem CID 56653356) has the molecular formula C21H21BrN2O3S and a molecular weight of 461.38 g/mol. Its IUPAC name is N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide
PubChem CID56653356
Molecular FormulaC21H21BrN2O3S
Molecular Weight461.38 g/mol
Exact Mass460.05
IUPAC NameN-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1-c1cncc(Br)c1OCCc1ccccc1
InChIInChI=1S/C21H21BrN2O3S/c1-15-12-17(24-28(2,25)26)8-9-18(15)19-13-23-14-20(22)21(19)27-11-10-16-6-4-3-5-7-16/h3-9,12-14,24H,10-11H2,1-2H3
InChIKeyMPIDRIIZSUTDHM-UHFFFAOYSA-N
XLogP4.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(2,2-diphenylethylamino)quinazolin-2-yl]-3-methylphenyl]methanesulfonamide
CID 121378090
N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide
CID 175307812
5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde
CID 112620614
3-[5-[5-(methanesulfonamido)-2-methylphenyl]-3-pyridinyl]propanoic acid
CID 167820078
N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 17139121
[3,5-dimethyl-4-(2-phenylethoxy)phenyl]methanamine
CID 28967110
3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine
CID 141329320
N-[3-bromo-4-(2-methylphenoxy)phenyl]methanesulfonamide
CID 139341837
N-[4-isoquinolin-4-yl-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 56654384
N-[3-(2,2-difluoroethoxy)-4-(4-methyl-3-pyridinyl)phenyl]methanesulfonamide
CID 87120808
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenylethoxy)benzamide
CID 19628059

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide (CID 56653356) is N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide is Cc1cc(NS(C)(=O)=O)ccc1-c1cncc(Br)c1OCCc1ccccc1.
What is the InChIKey of N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide?
The InChIKey is MPIDRIIZSUTDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O3S/c1-15-12-17(24-28(2,25)26)8-9-18(15)19-13-23-14-20(22)21(19)27-11-10-16-6-4-3-5-7-16/h3-9,12-14,24H,10-11H2,1-2H3.
What are the key properties of N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide?
N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide has a molecular weight of 461.38 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-bromo-4-(2-phenylethoxy)-3-pyridinyl]-3-methylphenyl]methanesulfonamide is sourced from PubChem (CID 56653356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).