1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide

C17H17F2N3O2S2 — CID 155801259

IUPAC1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide
SMILESCn1cc(-c2ccc(CCNS(=O)(=O)Cc3cc(F)ccc3F)s2)cn1
InChIInChI=1S/C17H17F2N3O2S2/c1-22-10-13(9-20-22)17-5-3-15(25-17)6-7-21-26(23,24)11-12-8-14(18)2-4-16(12)19/h2-5,8-10,21H,6-7,11H2,1H3
InChIKeyZTPQOBFDJQQTHF-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.09
Rot. Bonds7

About 1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 155801259) has the molecular formula C17H17F2N3O2S2 and a molecular weight of 397.47 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID155801259
Molecular FormulaC17H17F2N3O2S2
Molecular Weight397.47 g/mol
Exact Mass397.07
IUPAC Name1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide
SMILESCn1cc(-c2ccc(CCNS(=O)(=O)Cc3cc(F)ccc3F)s2)cn1
InChIInChI=1S/C17H17F2N3O2S2/c1-22-10-13(9-20-22)17-5-3-15(25-17)6-7-21-26(23,24)11-12-8-14(18)2-4-16(12)19/h2-5,8-10,21H,6-7,11H2,1H3
InChIKeyZTPQOBFDJQQTHF-UHFFFAOYSA-N
XLogP3.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide with MolForge

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Related Compounds

[5-[3-(1-Methylpyrazol-4-yl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130344895
US10807974, Example 77
CID 130344862
US10807974, Example 81
CID 130344896
N-{[1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl]methyl}-1-(4-fluorophenyl)methanesulfonamide
CID 71797472
N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71808172
N-{2-[5-cyclopropyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}-1-(2-fluorophenyl)methanesulfonamide
CID 72718652
N-[2-[1-(3-fluorophenyl)ethylsulfanyl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 84584882
N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)propane-1-sulfonamide
CID 86266413
1-(2,5-difluorophenyl)-N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)methanesulfonamide
CID 91629211
US10155727, Example 71
CID 118864180
1,3,5-trimethyl-N-[(4-thiophen-2-ylphenyl)methyl]pyrazole-4-sulfonamide
CID 2738897
(E)-N-((1-methyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)-2-phenylethenesulfonamide
CID 71797432

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide (CID 155801259) is 1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide is Cn1cc(-c2ccc(CCNS(=O)(=O)Cc3cc(F)ccc3F)s2)cn1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is ZTPQOBFDJQQTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2S2/c1-22-10-13(9-20-22)17-5-3-15(25-17)6-7-21-26(23,24)11-12-8-14(18)2-4-16(12)19/h2-5,8-10,21H,6-7,11H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 397.47 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 155801259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).