5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C15H17BrN2O2S — CID 60660829

IUPAC5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)CCc1ccccn1
InChIInChI=1S/C15H17BrN2O2S/c1-12-6-7-13(16)11-15(12)21(19,20)18(2)10-8-14-5-3-4-9-17-14/h3-7,9,11H,8,10H2,1-2H3
InChIKeyUBGKMPZFOZJZTC-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.02
Rot. Bonds5

About 5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 60660829) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID60660829
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)CCc1ccccn1
InChIInChI=1S/C15H17BrN2O2S/c1-12-6-7-13(16)11-15(12)21(19,20)18(2)10-8-14-5-3-4-9-17-14/h3-7,9,11H,8,10H2,1-2H3
InChIKeyUBGKMPZFOZJZTC-UHFFFAOYSA-N
XLogP3.02
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 61068907
N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
CID 176872849
N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 43091245
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
CID 102751202
N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 52552426
2-chloro-4-cyano-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 75475340
2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3588052
3-[(5-bromo-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 113230949
N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
CID 62334094

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 60660829) is 5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)N(C)CCc1ccccn1.
What is the InChIKey of 5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is UBGKMPZFOZJZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-12-6-7-13(16)11-15(12)21(19,20)18(2)10-8-14-5-3-4-9-17-14/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60660829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).