2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide

C13H15FN4O2S — CID 62157505

IUPAC2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H15FN4O2S/c1-3-15-13-16-8-12(9-17-13)21(19,20)18(2)11-6-4-10(14)5-7-11/h4-9H,3H2,1-2H3,(H,15,16,17)
InChIKeyORACNAAQMIHDPT-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.87
Rot. Bonds5

About 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide

2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide (PubChem CID 62157505) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide
PubChem CID62157505
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)c2ccc(F)cc2)cn1
InChIInChI=1S/C13H15FN4O2S/c1-3-15-13-16-8-12(9-17-13)21(19,20)18(2)11-6-4-10(14)5-7-11/h4-9H,3H2,1-2H3,(H,15,16,17)
InChIKeyORACNAAQMIHDPT-UHFFFAOYSA-N
XLogP1.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106936969
2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-sulfonamide
CID 62157688
N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937024
6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 47310666
N-methyl-2-(methylamino)-N-phenylpyrimidine-5-sulfonamide
CID 62148831
N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide
CID 62148862
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
N,N-bis(cyanomethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62163524
2-(ethylamino)-N-(2-methylpropyl)-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62153122
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
5-chloro-6-(ethylamino)-N-methyl-N-phenylpyridine-3-sulfonamide
CID 64606805

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide (CID 62157505) is 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)N(C)c2ccc(F)cc2)cn1.
What is the InChIKey of 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide?
The InChIKey is ORACNAAQMIHDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-3-15-13-16-8-12(9-17-13)21(19,20)18(2)11-6-4-10(14)5-7-11/h4-9H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide?
2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62157505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).