N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide

C14H15BrN2O2S — CID 81422841

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H15BrN2O2S/c1-11-9-13(15)10-16-14(11)17-20(18,19)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,16,17)
InChIKeyYMBXLJNPXZJRDZ-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.14
Rot. Bonds5

About N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide

N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide (PubChem CID 81422841) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide
PubChem CID81422841
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C14H15BrN2O2S/c1-11-9-13(15)10-16-14(11)17-20(18,19)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,16,17)
InChIKeyYMBXLJNPXZJRDZ-UHFFFAOYSA-N
XLogP3.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
CID 106076772
N-(5-bromo-3-methyl-2-pyridinyl)-4-(propylamino)butane-1-sulfonamide
CID 106076811
(2S)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-phenylbutanamide
CID 104984747
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide
CID 79001394
N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
CID 39395711
5-bromo-3-(2-phenylethylsulfonyl)pyridin-2-amine
CID 158819543
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine
CID 79717744
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-6-methylbenzenesulfonamide
CID 83166511

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide (CID 81422841) is N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide?
The InChIKey is YMBXLJNPXZJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-11-9-13(15)10-16-14(11)17-20(18,19)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,16,17).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide is sourced from PubChem (CID 81422841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).