N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide

C26H16F8N2O5S2 — CID 142178445

IUPACN-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc(F)cc(F)c2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H16F8N2O5S2/c27-18-10-16(11-19(28)14-18)15-4-9-23(35-42(37,38)21-7-5-20(6-8-21)41-26(32,33)34)24(12-15)36-43(39,40)22-3-1-2-17(13-22)25(29,30)31/h1-14,35-36H
InChIKeyONTJKQBWAONMRQ-UHFFFAOYSA-N
MW652.54 g/mol
LogP7.15
Rot. Bonds8

About N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 142178445) has the molecular formula C26H16F8N2O5S2 and a molecular weight of 652.54 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID142178445
Molecular FormulaC26H16F8N2O5S2
Molecular Weight652.54 g/mol
Exact Mass652.04
IUPAC NameN-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc(F)cc(F)c2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H16F8N2O5S2/c27-18-10-16(11-19(28)14-18)15-4-9-23(35-42(37,38)21-7-5-20(6-8-21)41-26(32,33)34)24(12-15)36-43(39,40)22-3-1-2-17(13-22)25(29,30)31/h1-14,35-36H
InChIKeyONTJKQBWAONMRQ-UHFFFAOYSA-N
XLogP7.15
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.54
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-cyclopropyloxy-5-fluorophenyl)-2-fluorophenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 166453075
N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 142178347
N-[4-(furan-2-yl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178354
N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 169422831
N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 52838841
3-tert-butyl-N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]benzenesulfonamide
CID 166453096
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
4-[2-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid;4-[2-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 159129697
5-chloro-N-[4-(5-chlorothiophen-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 70131358
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 142178445) is N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cc(F)cc(F)c2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ONTJKQBWAONMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F8N2O5S2/c27-18-10-16(11-19(28)14-18)15-4-9-23(35-42(37,38)21-7-5-20(6-8-21)41-26(32,33)34)24(12-15)36-43(39,40)22-3-1-2-17(13-22)25(29,30)31/h1-14,35-36H.
What are the key properties of N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 652.54 g/mol, XLogP of 7.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 142178445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).