N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide

C21H15ClN2O7S2 — CID 57383188

IUPACN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H15ClN2O7S2/c22-14-5-7-16(23-32(25,26)15-6-8-19-20(11-15)30-12-29-19)17(10-14)24-33(27,28)21-9-13-3-1-2-4-18(13)31-21/h1-11,23-24H,12H2
InChIKeyNWZGGBGILYYNSW-UHFFFAOYSA-N
MW506.95 g/mol
LogP4.42
Rot. Bonds6

About N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide

N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide (PubChem CID 57383188) has the molecular formula C21H15ClN2O7S2 and a molecular weight of 506.95 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide
PubChem CID57383188
Molecular FormulaC21H15ClN2O7S2
Molecular Weight506.95 g/mol
Exact Mass506.00
IUPAC NameN-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H15ClN2O7S2/c22-14-5-7-16(23-32(25,26)15-6-8-19-20(11-15)30-12-29-19)17(10-14)24-33(27,28)21-9-13-3-1-2-4-18(13)31-21/h1-11,23-24H,12H2
InChIKeyNWZGGBGILYYNSW-UHFFFAOYSA-N
XLogP4.42
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.95
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-chloro-2-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970329
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-(ethylsulfonylamino)phenyl]-1-benzofuran-2-sulfonamide
CID 67970231
[5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-chlorophenyl] formate
CID 88544142
N-[5-chloro-2-[(2-methylsulfonylphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970119
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide
CID 67970800
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]-6-phenoxypyridine-3-sulfonamide
CID 67969992
N-[5-chloro-2-[(4-pyridin-3-yloxyphenyl)sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
CID 67970598
5-[[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfamoyl]-2-ethoxybenzoic acid
CID 57382885
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 67970255

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide (CID 57383188) is N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide?
The InChIKey is NWZGGBGILYYNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O7S2/c22-14-5-7-16(23-32(25,26)15-6-8-19-20(11-15)30-12-29-19)17(10-14)24-33(27,28)21-9-13-3-1-2-4-18(13)31-21/h1-11,23-24H,12H2.
What are the key properties of N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide?
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide has a molecular weight of 506.95 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 57383188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).