N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide

C21H14ClF3N2O6S2 — CID 67970240

IUPACN-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C21H14ClF3N2O6S2/c22-14-9-10-15(26-34(28,29)19-8-4-3-7-18(19)33-21(23,24)25)16(12-14)27-35(30,31)20-11-13-5-1-2-6-17(13)32-20/h1-12,26-27H
InChIKeyZUSDZEWLJVWCBX-UHFFFAOYSA-N
MW546.93 g/mol
LogP5.59
Rot. Bonds7

About N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide

N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (PubChem CID 67970240) has the molecular formula C21H14ClF3N2O6S2 and a molecular weight of 546.93 g/mol. Its IUPAC name is N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
PubChem CID67970240
Molecular FormulaC21H14ClF3N2O6S2
Molecular Weight546.93 g/mol
Exact Mass545.99
IUPAC NameN-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C21H14ClF3N2O6S2/c22-14-9-10-15(26-34(28,29)19-8-4-3-7-18(19)33-21(23,24)25)16(12-14)27-35(30,31)20-11-13-5-1-2-6-17(13)32-20/h1-12,26-27H
InChIKeyZUSDZEWLJVWCBX-UHFFFAOYSA-N
XLogP5.59
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.93
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970119
3-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-4-chlorobenzoic acid
CID 67970463
N-[5-chloro-2-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970329
N-[5-chloro-2-(ethylsulfonylamino)phenyl]-1-benzofuran-2-sulfonamide
CID 67970231
N-[5-chloro-2-[(4-phenoxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970160
N-[2-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]disulfanyl]-5-chlorophenyl]-1-benzofuran-2-sulfonamide
CID 86667125
N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67969892
methyl 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]thiophene-2-carboxylate
CID 57383229
[5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-chlorophenyl] formate
CID 88544142
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid
CID 57382885
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide
CID 57383188

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (CID 67970240) is N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is O=S(=O)(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F)c1cc2ccccc2o1.
What is the InChIKey of N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The InChIKey is ZUSDZEWLJVWCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N2O6S2/c22-14-9-10-15(26-34(28,29)19-8-4-3-7-18(19)33-21(23,24)25)16(12-14)27-35(30,31)20-11-13-5-1-2-6-17(13)32-20/h1-12,26-27H.
What are the key properties of N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide has a molecular weight of 546.93 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 67970240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).