2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide

C13H15FN4O2S — CID 62143379

IUPAC2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2cc(C)ccc2F)cn1
InChIInChI=1S/C13H15FN4O2S/c1-3-15-13-16-7-10(8-17-13)21(19,20)18-12-6-9(2)4-5-11(12)14/h4-8,18H,3H2,1-2H3,(H,15,16,17)
InChIKeyWGHJBRUQYRQEGI-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.16
Rot. Bonds5

About 2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide

2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide (PubChem CID 62143379) has the molecular formula C13H15FN4O2S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
PubChem CID62143379
Molecular FormulaC13H15FN4O2S
Molecular Weight310.35 g/mol
Exact Mass310.09
IUPAC Name2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2cc(C)ccc2F)cn1
InChIInChI=1S/C13H15FN4O2S/c1-3-15-13-16-7-10(8-17-13)21(19,20)18-12-6-9(2)4-5-11(12)14/h4-8,18H,3H2,1-2H3,(H,15,16,17)
InChIKeyWGHJBRUQYRQEGI-UHFFFAOYSA-N
XLogP2.16
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327363
2-amino-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143731
2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 62144386
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144758
2-(ethylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150826
N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62146677
4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
4-[(2S)-butan-2-yl]-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 8523559
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050
N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144333
N-(2-fluoro-5-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62143380

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide (CID 62143379) is 2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)Nc2cc(C)ccc2F)cn1.
What is the InChIKey of 2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide?
The InChIKey is WGHJBRUQYRQEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2S/c1-3-15-13-16-7-10(8-17-13)21(19,20)18-12-6-9(2)4-5-11(12)14/h4-8,18H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide?
2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62143379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).