N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide

C12H10BrFN2O2S — CID 60723562

IUPACN-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H10BrFN2O2S/c1-8-6-10(14)3-4-11(8)19(17,18)16-12-5-2-9(13)7-15-12/h2-7H,1H3,(H,15,16)
InChIKeyZVMADTOZEWAPCN-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.09
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide

N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 60723562) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID60723562
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC NameN-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C12H10BrFN2O2S/c1-8-6-10(14)3-4-11(8)19(17,18)16-12-5-2-9(13)7-15-12/h2-7H,1H3,(H,15,16)
InChIKeyZVMADTOZEWAPCN-UHFFFAOYSA-N
XLogP3.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683219
2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 63903663
N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110869047
4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide
CID 113009667
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706
N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106020720
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113036484
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
3-amino-N-(5-bromo-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79889062

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide (CID 60723562) is N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is ZVMADTOZEWAPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c1-8-6-10(14)3-4-11(8)19(17,18)16-12-5-2-9(13)7-15-12/h2-7H,1H3,(H,15,16).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide?
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 345.19 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 60723562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).