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

C21H17ClN2O7S3 — CID 67970119

IUPACN-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H17ClN2O7S3/c1-32(25,26)19-8-4-5-9-20(19)33(27,28)23-16-11-10-15(22)13-17(16)24-34(29,30)21-12-14-6-2-3-7-18(14)31-21/h2-13,23-24H,1H3
InChIKeySCDKMGGYWIAGHL-UHFFFAOYSA-N
MW541.03 g/mol
LogP4.09
Rot. Bonds7

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

N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (PubChem CID 67970119) has the molecular formula C21H17ClN2O7S3 and a molecular weight of 541.03 g/mol. Its IUPAC name is N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
PubChem CID67970119
Molecular FormulaC21H17ClN2O7S3
Molecular Weight541.03 g/mol
Exact Mass539.99
IUPAC NameN-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H17ClN2O7S3/c1-32(25,26)19-8-4-5-9-20(19)33(27,28)23-16-11-10-15(22)13-17(16)24-34(29,30)21-12-14-6-2-3-7-18(14)31-21/h2-13,23-24H,1H3
InChIKeySCDKMGGYWIAGHL-UHFFFAOYSA-N
XLogP4.09
TPSA139.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.03
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-chloro-2-(ethylsulfonylamino)phenyl]-1-benzofuran-2-sulfonamide
CID 67970231
N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67969892
N-[5-chloro-2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970240
N-[5-chloro-2-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970329
3-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-4-chlorobenzoic acid
CID 67970463
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
methyl 5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]thiophene-2-carboxylate
CID 57383229
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide
CID 57383188
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-2-chloro-1,3-benzothiazole-6-sulfonamide
CID 67970093
N-[5-chloro-2-[(3-chloro-3-methyl-2H-1-benzothiophen-2-yl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 130472873
[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-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (CID 67970119) is N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The InChIKey is SCDKMGGYWIAGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O7S3/c1-32(25,26)19-8-4-5-9-20(19)33(27,28)23-16-11-10-15(22)13-17(16)24-34(29,30)21-12-14-6-2-3-7-18(14)31-21/h2-13,23-24H,1H3.
What are the key properties of N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide has a molecular weight of 541.03 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 67970119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).