2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide

C14H16FN3O2S — CID 62157688

IUPAC2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccn1
InChIInChI=1S/C14H16FN3O2S/c1-3-16-14-10-13(8-9-17-14)21(19,20)18(2)12-6-4-11(15)5-7-12/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyAYPFSCZTRNGDPT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.48
Rot. Bonds5

About 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide

2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide (PubChem CID 62157688) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide
PubChem CID62157688
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccn1
InChIInChI=1S/C14H16FN3O2S/c1-3-16-14-10-13(8-9-17-14)21(19,20)18(2)12-6-4-11(15)5-7-12/h4-10H,3H2,1-2H3,(H,16,17)
InChIKeyAYPFSCZTRNGDPT-UHFFFAOYSA-N
XLogP2.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(ethylamino)pyridine-4-sulfonamide
CID 62150008
2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide
CID 62157505
N-(2,2-dimethylpropyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide
CID 62151680
N-methyl-2-(methylamino)-N-(4-methylphenyl)pyridine-4-sulfonamide
CID 62156970
N-(3-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62157049
2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-sulfonamide
CID 55043729
2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 62147964
N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-sulfonamide
CID 55044340
N-(cyclohexylmethyl)-2-(ethylamino)-N-methylpyridine-4-sulfonamide
CID 62151719
2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-sulfonamide
CID 63275008
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide (CID 62157688) is 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide is CCNc1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccn1.
What is the InChIKey of 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide?
The InChIKey is AYPFSCZTRNGDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-3-16-14-10-13(8-9-17-14)21(19,20)18(2)12-6-4-11(15)5-7-12/h4-10H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide?
2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 62157688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).