2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide

C12H13FN4O2S — CID 62159440

IUPAC2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C12H13FN4O2S/c1-2-17(10-5-3-9(13)4-6-10)20(18,19)11-7-15-12(14)16-8-11/h3-8H,2H2,1H3,(H2,14,15,16)
InChIKeyCIQDZQUSDHFZSI-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.41
Rot. Bonds4

About 2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide

2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide (PubChem CID 62159440) has the molecular formula C12H13FN4O2S and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide
PubChem CID62159440
Molecular FormulaC12H13FN4O2S
Molecular Weight296.33 g/mol
Exact Mass296.07
IUPAC Name2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C12H13FN4O2S/c1-2-17(10-5-3-9(13)4-6-10)20(18,19)11-7-15-12(14)16-8-11/h3-8H,2H2,1H3,(H2,14,15,16)
InChIKeyCIQDZQUSDHFZSI-UHFFFAOYSA-N
XLogP1.41
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide (CID 62159440) is 2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide is CCN(c1ccc(F)cc1)S(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide?
The InChIKey is CIQDZQUSDHFZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2S/c1-2-17(10-5-3-9(13)4-6-10)20(18,19)11-7-15-12(14)16-8-11/h3-8H,2H2,1H3,(H2,14,15,16).
What are the key properties of 2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide?
2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide has a molecular weight of 296.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(4-fluorophenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62159440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).