N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide

C25H16ClF3N2O6S3 — CID 70132540

IUPACN-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc3ccccc3o2)cc1NS(=O)(=O)c1ccc(Cl)s1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H16ClF3N2O6S3/c26-23-11-12-24(38-23)40(34,35)31-20-13-16(22-14-15-3-1-2-4-21(15)36-22)5-10-19(20)30-39(32,33)18-8-6-17(7-9-18)37-25(27,28)29/h1-14,30-31H
InChIKeyBZVGLPITYWUJQS-UHFFFAOYSA-N
MW629.06 g/mol
LogP7.31
Rot. Bonds8

About N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide

N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 70132540) has the molecular formula C25H16ClF3N2O6S3 and a molecular weight of 629.06 g/mol. Its IUPAC name is N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide
PubChem CID70132540
Molecular FormulaC25H16ClF3N2O6S3
Molecular Weight629.06 g/mol
Exact Mass627.98
IUPAC NameN-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cc3ccccc3o2)cc1NS(=O)(=O)c1ccc(Cl)s1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H16ClF3N2O6S3/c26-23-11-12-24(38-23)40(34,35)31-20-13-16(22-14-15-3-1-2-4-21(15)36-22)5-10-19(20)30-39(32,33)18-8-6-17(7-9-18)37-25(27,28)29/h1-14,30-31H
InChIKeyBZVGLPITYWUJQS-UHFFFAOYSA-N
XLogP7.31
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.06
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[4-(5-chlorothiophen-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 70131358
N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 142178347
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970240
N-[5-chloro-2-[(4-phenoxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970160
methyl 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]thiophene-2-carboxylate
CID 57383229
5-chloro-N-[4-(2,3-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 142178430
N-[5-(3,5-difluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 142178445
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 58565471
N-[5-chloro-2-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970329

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide (CID 70132540) is N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide is O=S(=O)(Nc1ccc(-c2cc3ccccc3o2)cc1NS(=O)(=O)c1ccc(Cl)s1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is BZVGLPITYWUJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF3N2O6S3/c26-23-11-12-24(38-23)40(34,35)31-20-13-16(22-14-15-3-1-2-4-21(15)36-22)5-10-19(20)30-39(32,33)18-8-6-17(7-9-18)37-25(27,28)29/h1-14,30-31H.
What are the key properties of N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide?
N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 629.06 g/mol, XLogP of 7.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzofuran-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 70132540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).