N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide

C17H16FN3O3S2 — CID 41241443

IUPACN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)s1
InChIInChI=1S/C17H16FN3O3S2/c1-12-2-9-17(25-12)26(23,24)19-10-11-21-16(22)8-7-15(20-21)13-3-5-14(18)6-4-13/h2-9,19H,10-11H2,1H3
InChIKeySRZXDNHLRTYAAO-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.40
Rot. Bonds6

About N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 41241443) has the molecular formula C17H16FN3O3S2 and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID41241443
Molecular FormulaC17H16FN3O3S2
Molecular Weight393.47 g/mol
Exact Mass393.06
IUPAC NameN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)s1
InChIInChI=1S/C17H16FN3O3S2/c1-12-2-9-17(25-12)26(23,24)19-10-11-21-16(22)8-7-15(20-21)13-3-5-14(18)6-4-13/h2-9,19H,10-11H2,1H3
InChIKeySRZXDNHLRTYAAO-UHFFFAOYSA-N
XLogP2.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide (CID 41241443) is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)s1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is SRZXDNHLRTYAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S2/c1-12-2-9-17(25-12)26(23,24)19-10-11-21-16(22)8-7-15(20-21)13-3-5-14(18)6-4-13/h2-9,19H,10-11H2,1H3.
What are the key properties of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 393.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 41241443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).