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

C13H13ClFN3O2S — CID 62144412

IUPACN-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C13H13ClFN3O2S/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)
InChIKeyYXFNLFFEUXANTQ-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.11
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62144412) has the molecular formula C13H13ClFN3O2S and a molecular weight of 329.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
PubChem CID62144412
Molecular FormulaC13H13ClFN3O2S
Molecular Weight329.78 g/mol
Exact Mass329.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C13H13ClFN3O2S/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)
InChIKeyYXFNLFFEUXANTQ-UHFFFAOYSA-N
XLogP3.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide (CID 62144412) is N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is YXFNLFFEUXANTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2S/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-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide?
N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 329.78 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62144412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).