N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide

C24H16F6N2O5S2 — CID 142178354

IUPACN-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccco2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H16F6N2O5S2/c25-23(26,27)16-4-1-6-18(13-16)38(33,34)31-20-10-9-15(22-8-3-11-37-22)12-21(20)32-39(35,36)19-7-2-5-17(14-19)24(28,29)30/h1-14,31-32H
InChIKeyVHWYUGSYONZZES-UHFFFAOYSA-N
MW590.52 g/mol
LogP6.59
Rot. Bonds7

About N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 142178354) has the molecular formula C24H16F6N2O5S2 and a molecular weight of 590.52 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID142178354
Molecular FormulaC24H16F6N2O5S2
Molecular Weight590.52 g/mol
Exact Mass590.04
IUPAC NameN-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccco2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H16F6N2O5S2/c25-23(26,27)16-4-1-6-18(13-16)38(33,34)31-20-10-9-15(22-8-3-11-37-22)12-21(20)32-39(35,36)19-7-2-5-17(14-19)24(28,29)30/h1-14,31-32H
InChIKeyVHWYUGSYONZZES-UHFFFAOYSA-N
XLogP6.59
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.52
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 52838841
N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178445
5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 142178430
N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3729383
N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3562603
N,N-diethyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 25331420
N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
CID 8616858
4-chloro-N-[5-(furan-2-yl)-2-methylphenyl]benzenesulfonamide
CID 67282863
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 162582675
3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2084455
4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 24580638

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 142178354) is N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccco2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VHWYUGSYONZZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2O5S2/c25-23(26,27)16-4-1-6-18(13-16)38(33,34)31-20-10-9-15(22-8-3-11-37-22)12-21(20)32-39(35,36)19-7-2-5-17(14-19)24(28,29)30/h1-14,31-32H.
What are the key properties of N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 590.52 g/mol, XLogP of 6.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 142178354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).