N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide

C13H13BrClN3O2S — CID 62908445

IUPACN-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)Nc2cc(Br)ccc2Cl)ccn1
InChIInChI=1S/C13H13BrClN3O2S/c1-2-16-13-8-10(5-6-17-13)21(19,20)18-12-7-9(14)3-4-11(12)15/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyWFRGGVFAYOBOAI-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.73
Rot. Bonds5

About N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide

N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide (PubChem CID 62908445) has the molecular formula C13H13BrClN3O2S and a molecular weight of 390.69 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide
PubChem CID62908445
Molecular FormulaC13H13BrClN3O2S
Molecular Weight390.69 g/mol
Exact Mass388.96
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)Nc2cc(Br)ccc2Cl)ccn1
InChIInChI=1S/C13H13BrClN3O2S/c1-2-16-13-8-10(5-6-17-13)21(19,20)18-12-7-9(14)3-4-11(12)15/h3-8,18H,2H2,1H3,(H,16,17)
InChIKeyWFRGGVFAYOBOAI-UHFFFAOYSA-N
XLogP3.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62164386
N-(2,5-dimethylphenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62148688
2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-sulfonamide
CID 65042331
N-(4-bromo-3-fluorophenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 65436624
2-(ethylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-4-sulfonamide
CID 62162458
N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 107531127
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
CID 64601121
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 65481175
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)pyridine-4-sulfonamide
CID 62143671
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide (CID 62908445) is N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide is CCNc1cc(S(=O)(=O)Nc2cc(Br)ccc2Cl)ccn1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide?
The InChIKey is WFRGGVFAYOBOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2S/c1-2-16-13-8-10(5-6-17-13)21(19,20)18-12-7-9(14)3-4-11(12)15/h3-8,18H,2H2,1H3,(H,16,17).
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide?
N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide has a molecular weight of 390.69 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-2-(ethylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62908445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).