N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide

C26H16Cl2F6N2O6S2 — CID 142178347

IUPACN-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cccc(Cl)c2Cl)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H16Cl2F6N2O6S2/c27-21-3-1-2-20(24(21)28)15-4-13-22(35-43(37,38)18-9-5-16(6-10-18)41-25(29,30)31)23(14-15)36-44(39,40)19-11-7-17(8-12-19)42-26(32,33)34/h1-14,35-36H
InChIKeyAEPWBGSMDPZRKR-UHFFFAOYSA-N
MW701.45 g/mol
LogP8.06
Rot. Bonds9

About N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 142178347) has the molecular formula C26H16Cl2F6N2O6S2 and a molecular weight of 701.45 g/mol. Its IUPAC name is N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID142178347
Molecular FormulaC26H16Cl2F6N2O6S2
Molecular Weight701.45 g/mol
Exact Mass699.97
IUPAC NameN-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cccc(Cl)c2Cl)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H16Cl2F6N2O6S2/c27-21-3-1-2-20(24(21)28)15-4-13-22(35-43(37,38)18-9-5-16(6-10-18)41-25(29,30)31)23(14-15)36-44(39,40)19-11-7-17(8-12-19)42-26(32,33)34/h1-14,35-36H
InChIKeyAEPWBGSMDPZRKR-UHFFFAOYSA-N
XLogP8.06
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.45
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide with MolForge

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Related Compounds

N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
5-chloro-N-[4-(5-chlorothiophen-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 70131358
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-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 58565471
N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide
CID 70132540
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 169422831
N-(4-iodo-2-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5092333
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3460603

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 142178347) is N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cccc(Cl)c2Cl)cc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is AEPWBGSMDPZRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2F6N2O6S2/c27-21-3-1-2-20(24(21)28)15-4-13-22(35-43(37,38)18-9-5-16(6-10-18)41-25(29,30)31)23(14-15)36-44(39,40)19-11-7-17(8-12-19)42-26(32,33)34/h1-14,35-36H.
What are the key properties of N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 701.45 g/mol, XLogP of 8.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 142178347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).