N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide

C23H18Cl2N2O5S3 — CID 130472873

IUPACN-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESCC1(Cl)c2ccccc2SC1S(=O)(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H18Cl2N2O5S3/c1-23(25)16-7-3-5-9-20(16)33-22(23)35(30,31)26-17-11-10-15(24)13-18(17)27-34(28,29)21-12-14-6-2-4-8-19(14)32-21/h2-13,22,26-27H,1H3
InChIKeyJCZSOPOKQXTVOQ-UHFFFAOYSA-N
MW569.51 g/mol
LogP6.21
Rot. Bonds6

About N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide

N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (PubChem CID 130472873) has the molecular formula C23H18Cl2N2O5S3 and a molecular weight of 569.51 g/mol. Its IUPAC name is N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
PubChem CID130472873
Molecular FormulaC23H18Cl2N2O5S3
Molecular Weight569.51 g/mol
Exact Mass567.98
IUPAC NameN-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESCC1(Cl)c2ccccc2SC1S(=O)(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H18Cl2N2O5S3/c1-23(25)16-7-3-5-9-20(16)33-22(23)35(30,31)26-17-11-10-15(24)13-18(17)27-34(28,29)21-12-14-6-2-4-8-19(14)32-21/h2-13,22,26-27H,1H3
InChIKeyJCZSOPOKQXTVOQ-UHFFFAOYSA-N
XLogP6.21
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.51
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970119
N-[5-chloro-2-(ethylsulfonylamino)phenyl]-1-benzofuran-2-sulfonamide
CID 67970231
N-[5-chloro-2-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970329
methyl 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]thiophene-2-carboxylate
CID 57383229
N-[5-chloro-2-[(4-phenoxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970160
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-2-chloro-1,3-benzothiazole-6-sulfonamide
CID 67970093
N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67969892
N-[2-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]disulfanyl]-5-chlorophenyl]-1-benzofuran-2-sulfonamide
CID 86667125
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide
CID 57383188
3-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-4-chlorobenzoic acid
CID 67970463
N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970240
[5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-chlorophenyl] formate
CID 88544142

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (CID 130472873) is N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is CC1(Cl)c2ccccc2SC1S(=O)(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The InChIKey is JCZSOPOKQXTVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O5S3/c1-23(25)16-7-3-5-9-20(16)33-22(23)35(30,31)26-17-11-10-15(24)13-18(17)27-34(28,29)21-12-14-6-2-4-8-19(14)32-21/h2-13,22,26-27H,1H3.
What are the key properties of N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide has a molecular weight of 569.51 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 130472873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).