N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide

C16H14F2N4O2S2 — CID 113050558

IUPACN-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3F)nn2)s1
InChIInChI=1S/C16H14F2N4O2S2/c1-2-11-4-8-16(25-11)26(23,24)22-15-7-6-14(20-21-15)19-13-5-3-10(17)9-12(13)18/h3-9H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyCZFDCNJXMBFRMP-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.92
Rot. Bonds6

About N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide

N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide (PubChem CID 113050558) has the molecular formula C16H14F2N4O2S2 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
PubChem CID113050558
Molecular FormulaC16H14F2N4O2S2
Molecular Weight396.44 g/mol
Exact Mass396.05
IUPAC NameN-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3F)nn2)s1
InChIInChI=1S/C16H14F2N4O2S2/c1-2-11-4-8-16(25-11)26(23,24)22-15-7-6-14(20-21-15)19-13-5-3-10(17)9-12(13)18/h3-9H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyCZFDCNJXMBFRMP-UHFFFAOYSA-N
XLogP3.92
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113050551
N-(2-amino-5-fluorophenyl)-5-ethylthiophene-2-sulfonamide
CID 55169551
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050545
5-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113038015
4-chloro-N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050548
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123
N-[6-(cycloheptylamino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide
CID 113044438
5-ethyl-N-[6-(N-methylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113046005
N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 81433105
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide
CID 113017331
N-(2-chloro-4-fluorophenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106029020
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide (CID 113050558) is N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(F)cc3F)nn2)s1.
What is the InChIKey of N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is CZFDCNJXMBFRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S2/c1-2-11-4-8-16(25-11)26(23,24)22-15-7-6-14(20-21-15)19-13-5-3-10(17)9-12(13)18/h3-9H,2H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide?
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 396.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 113050558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).