N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide

C13H13BrFN3O2S — CID 65436624

IUPACN-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)Nc2ccc(Br)c(F)c2)ccn1
InChIInChI=1S/C13H13BrFN3O2S/c1-2-16-13-8-10(5-6-17-13)21(19,20)18-9-3-4-11(14)12(15)7-9/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyHCQZYNMXFNMYCV-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.22
Rot. Bonds5

About N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide

N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide (PubChem CID 65436624) has the molecular formula C13H13BrFN3O2S and a molecular weight of 374.24 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide
PubChem CID65436624
Molecular FormulaC13H13BrFN3O2S
Molecular Weight374.24 g/mol
Exact Mass372.99
IUPAC NameN-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)Nc2ccc(Br)c(F)c2)ccn1
InChIInChI=1S/C13H13BrFN3O2S/c1-2-16-13-8-10(5-6-17-13)21(19,20)18-9-3-4-11(14)12(15)7-9/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyHCQZYNMXFNMYCV-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

2-(ethylamino)-N-(3-fluoro-4-methylphenyl)pyridine-4-sulfonamide
CID 62143671
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62164386
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528
2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62908445
N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004703
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-sulfonamide
CID 65042331
2-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-4-sulfonamide
CID 62162458
N-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62811577
N-(2,5-dimethylphenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62148688
N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide
CID 3568453

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide (CID 65436624) is N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide is CCNc1cc(S(=O)(=O)Nc2ccc(Br)c(F)c2)ccn1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide?
The InChIKey is HCQZYNMXFNMYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O2S/c1-2-16-13-8-10(5-6-17-13)21(19,20)18-9-3-4-11(14)12(15)7-9/h3-8,18H,2H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide?
N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-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-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 65436624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).