N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide

C18H13F4NO4S — CID 55676585

IUPACN-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C18H13F4NO4S/c19-13-7-9-14(10-8-13)23(12-15-4-3-11-26-15)28(24,25)17-6-2-1-5-16(17)27-18(20,21)22/h1-11H,12H2
InChIKeyGCWKRCNTRZIBBH-UHFFFAOYSA-N
MW415.36 g/mol
LogP4.71
Rot. Bonds6

About N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 55676585) has the molecular formula C18H13F4NO4S and a molecular weight of 415.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID55676585
Molecular FormulaC18H13F4NO4S
Molecular Weight415.36 g/mol
Exact Mass415.05
IUPAC NameN-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C18H13F4NO4S/c19-13-7-9-14(10-8-13)23(12-15-4-3-11-26-15)28(24,25)17-6-2-1-5-16(17)27-18(20,21)22/h1-11H,12H2
InChIKeyGCWKRCNTRZIBBH-UHFFFAOYSA-N
XLogP4.71
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 39877116
N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 71890325
N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 39877190
N-(furan-2-ylmethyl)-2-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 56795188
2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid
CID 39351607
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 71889824
4-acetyl-N-(furan-2-ylmethyl)-N-phenylbenzenesulfonamide
CID 51307345
N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55512150
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46022510
methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
CID 50894270
N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 17458263
N-(2-chloro-4-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]sulfonylprop-2-enamide
CID 142416506

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 55676585) is N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1ccco1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is GCWKRCNTRZIBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4NO4S/c19-13-7-9-14(10-8-13)23(12-15-4-3-11-26-15)28(24,25)17-6-2-1-5-16(17)27-18(20,21)22/h1-11H,12H2.
What are the key properties of N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 415.36 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 55676585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).