N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide

C13H10BrClF2N2O2S — CID 118302673

IUPACN-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESCCc1c(Br)cnc(Cl)c1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H10BrClF2N2O2S/c1-2-8-9(14)6-18-13(15)12(8)19-22(20,21)11-4-3-7(16)5-10(11)17/h3-6,19H,2H2,1H3
InChIKeyAHWXRPSVRUVWPQ-UHFFFAOYSA-N
MW411.66 g/mol
LogP4.14
Rot. Bonds4

About N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide

N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide (PubChem CID 118302673) has the molecular formula C13H10BrClF2N2O2S and a molecular weight of 411.66 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide
PubChem CID118302673
Molecular FormulaC13H10BrClF2N2O2S
Molecular Weight411.66 g/mol
Exact Mass409.93
IUPAC NameN-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESCCc1c(Br)cnc(Cl)c1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H10BrClF2N2O2S/c1-2-8-9(14)6-18-13(15)12(8)19-22(20,21)11-4-3-7(16)5-10(11)17/h3-6,19H,2H2,1H3
InChIKeyAHWXRPSVRUVWPQ-UHFFFAOYSA-N
XLogP4.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.66
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 65490489
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 59860226
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 5237791
2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3775268
N-[2-(dimethylamino)pyrimidin-5-yl]-2,4-difluorobenzenesulfonamide
CID 91968201
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202918
N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide
CID 176736990
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
N-(2-bromo-3-chlorophenyl)-2,4-difluorobenzenesulfonamide
CID 103480186

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide (CID 118302673) is N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide is CCc1c(Br)cnc(Cl)c1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is AHWXRPSVRUVWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClF2N2O2S/c1-2-8-9(14)6-18-13(15)12(8)19-22(20,21)11-4-3-7(16)5-10(11)17/h3-6,19H,2H2,1H3.
What are the key properties of N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 411.66 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 118302673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).