4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

C17H12ClF3N2O3S — CID 121197330

IUPAC4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cncc(-c2ccco2)c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H12ClF3N2O3S/c18-15-4-3-13(7-14(15)17(19,20)21)27(24,25)23-9-11-6-12(10-22-8-11)16-2-1-5-26-16/h1-8,10,23H,9H2
InChIKeyMOZSLNSCPBIASW-UHFFFAOYSA-N
MW416.81 g/mol
LogP4.49
Rot. Bonds5

About 4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 121197330) has the molecular formula C17H12ClF3N2O3S and a molecular weight of 416.81 g/mol. Its IUPAC name is 4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID121197330
Molecular FormulaC17H12ClF3N2O3S
Molecular Weight416.81 g/mol
Exact Mass416.02
IUPAC Name4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cncc(-c2ccco2)c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H12ClF3N2O3S/c18-15-4-3-13(7-14(15)17(19,20)21)27(24,25)23-9-11-6-12(10-22-8-11)16-2-1-5-26-16/h1-8,10,23H,9H2
InChIKeyMOZSLNSCPBIASW-UHFFFAOYSA-N
XLogP4.49
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121022709
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]naphthalene-2-sulfonamide
CID 121197322
4-ethoxy-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-methylbenzenesulfonamide
CID 121197305
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
CID 121197266
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 121197304
[4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191347
[(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2468113
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 26943535
1-(3,4-dichlorophenyl)-3-[[5-(furan-2-yl)-3-pyridinyl]methyl]urea
CID 121197225
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 3674738
4-bromo-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 5102695
5-bromo-2-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197085

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 121197330) is 4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1cncc(-c2ccco2)c1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MOZSLNSCPBIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O3S/c18-15-4-3-13(7-14(15)17(19,20)21)27(24,25)23-9-11-6-12(10-22-8-11)16-2-1-5-26-16/h1-8,10,23H,9H2.
What are the key properties of 4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 416.81 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 121197330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).