2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide

C16H14F3N3O3S — CID 155948671

IUPAC2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H14F3N3O3S/c1-22-15(7-8-20-22)26(23,24)21-10-13-5-6-14(25-13)11-3-2-4-12(9-11)16(17,18)19/h2-9,21H,10H2,1H3
InChIKeyPBIWFPMWIGEIOO-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.18
Rot. Bonds5

About 2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide

2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide (PubChem CID 155948671) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide
PubChem CID155948671
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H14F3N3O3S/c1-22-15(7-8-20-22)26(23,24)21-10-13-5-6-14(25-13)11-3-2-4-12(9-11)16(17,18)19/h2-9,21H,10H2,1H3
InChIKeyPBIWFPMWIGEIOO-UHFFFAOYSA-N
XLogP3.18
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-methylsulfonyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-4-carboxamide
CID 155949482
5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 104709706
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
CID 17156683
N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 75519213
3-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17210670
(2R)-3-methyl-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylamino]butanoic acid
CID 99124828
3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride
CID 17195962
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine
CID 63086320
2-fluoro-N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]benzenesulfonamide
CID 146080782
1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
CID 17159461
(3S)-1,1-dioxo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]thiolan-3-amine
CID 42279062
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55387081

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide (CID 155948671) is 2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCc1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide?
The InChIKey is PBIWFPMWIGEIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c1-22-15(7-8-20-22)26(23,24)21-10-13-5-6-14(25-13)11-3-2-4-12(9-11)16(17,18)19/h2-9,21H,10H2,1H3.
What are the key properties of 2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide?
2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide has a molecular weight of 385.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 155948671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).