N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide

C12H15FN4O2S2 — CID 133421743

IUPACN-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCCc1ncnc(NCCNS(=O)(=O)c2cccs2)c1F
InChIInChI=1S/C12H15FN4O2S2/c1-2-9-11(13)12(16-8-15-9)14-5-6-17-21(18,19)10-4-3-7-20-10/h3-4,7-8,17H,2,5-6H2,1H3,(H,14,15,16)
InChIKeySQQCFWWKDFQMLR-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.63
Rot. Bonds7

About N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide

N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 133421743) has the molecular formula C12H15FN4O2S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID133421743
Molecular FormulaC12H15FN4O2S2
Molecular Weight330.41 g/mol
Exact Mass330.06
IUPAC NameN-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
SMILESCCc1ncnc(NCCNS(=O)(=O)c2cccs2)c1F
InChIInChI=1S/C12H15FN4O2S2/c1-2-9-11(13)12(16-8-15-9)14-5-6-17-21(18,19)10-4-3-7-20-10/h3-4,7-8,17H,2,5-6H2,1H3,(H,14,15,16)
InChIKeySQQCFWWKDFQMLR-UHFFFAOYSA-N
XLogP1.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 133421659
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133472879
N-pentylthiophene-2-sulfonamide
CID 5150701
N'-(1,3-benzothiazol-2-yl)-N-(6-ethyl-5-fluoropyrimidin-4-yl)ethane-1,2-diamine
CID 133418455
N-dodecylthiophene-2-sulfonamide
CID 19681497
N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397420
N-[2-(2-cyano-4-fluoroanilino)ethyl]thiophene-2-sulfonamide
CID 133397458
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325341
N-(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3855268
5-chloro-6-[2-(thiophen-2-ylsulfonylamino)ethylamino]pyridine-3-carboxamide
CID 133397446

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide (CID 133421743) is N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide is CCc1ncnc(NCCNS(=O)(=O)c2cccs2)c1F.
What is the InChIKey of N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is SQQCFWWKDFQMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S2/c1-2-9-11(13)12(16-8-15-9)14-5-6-17-21(18,19)10-4-3-7-20-10/h3-4,7-8,17H,2,5-6H2,1H3,(H,14,15,16).
What are the key properties of N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide?
N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 133421743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).