N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide

C13H13BrFN3O2S — CID 104781528

IUPACN-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C13H13BrFN3O2S/c1-2-16-13-6-4-10(8-17-13)21(19,20)18-9-3-5-12(15)11(14)7-9/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyBEOKSWQJYYIOPK-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.22
Rot. Bonds5

About N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide

N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide (PubChem CID 104781528) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
PubChem CID104781528
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC NameN-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C13H13BrFN3O2S/c1-2-16-13-6-4-10(8-17-13)21(19,20)18-9-3-5-12(15)11(14)7-9/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyBEOKSWQJYYIOPK-UHFFFAOYSA-N
XLogP3.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144412
6-(ethylamino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 62145209
N-(4-chloro-2-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62153150
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133355153
N-(3,4-difluorophenyl)-6-(3-hydroxypropylamino)pyridine-3-sulfonamide
CID 133338926
N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164228
N-(4-cyanophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144186
N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 65436624
6-(ethylamino)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62150604
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144758
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
N-(3,4-difluorophenyl)-6-[(2-hydroxy-2-phenylpropyl)amino]pyridine-3-sulfonamide
CID 133345839

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide (CID 104781528) is N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)Nc2ccc(F)c(Br)c2)cn1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is BEOKSWQJYYIOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-2-16-13-6-4-10(8-17-13)21(19,20)18-9-3-5-12(15)11(14)7-9/h3-8,18H,2H2,1H3,(H,16,17).
What are the key properties of N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide?
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 374.24 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 104781528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).