N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide

C26H22ClN3O5S2 — CID 67969892

IUPACN-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Cl)cc3NS(=O)(=O)c3cc4ccccc4o3)cccc12
InChIInChI=1S/C26H22ClN3O5S2/c1-30(2)23-10-5-9-20-19(23)8-6-12-25(20)36(31,32)28-21-14-13-18(27)16-22(21)29-37(33,34)26-15-17-7-3-4-11-24(17)35-26/h3-16,28-29H,1-2H3
InChIKeyJBBNCWHAWCXRGP-UHFFFAOYSA-N
MW556.07 g/mol
LogP5.91
Rot. Bonds7

About N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide

N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (PubChem CID 67969892) has the molecular formula C26H22ClN3O5S2 and a molecular weight of 556.07 g/mol. Its IUPAC name is N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
PubChem CID67969892
Molecular FormulaC26H22ClN3O5S2
Molecular Weight556.07 g/mol
Exact Mass555.07
IUPAC NameN-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Cl)cc3NS(=O)(=O)c3cc4ccccc4o3)cccc12
InChIInChI=1S/C26H22ClN3O5S2/c1-30(2)23-10-5-9-20-19(23)8-6-12-25(20)36(31,32)28-21-14-13-18(27)16-22(21)29-37(33,34)26-15-17-7-3-4-11-24(17)35-26/h3-16,28-29H,1-2H3
InChIKeyJBBNCWHAWCXRGP-UHFFFAOYSA-N
XLogP5.91
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.07
LogP ≤ 55.91
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
N-[5-chloro-2-(ethylsulfonylamino)phenyl]-1-benzofuran-2-sulfonamide
CID 67970231
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-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-1,3-benzodioxole-5-sulfonamide
CID 57383188
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]-2-chloro-1,3-benzothiazole-6-sulfonamide
CID 67970093
3-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfonyl-N,N-dimethylpropanamide
CID 67972691
N-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-sulfonamide
CID 67970800

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The IUPAC name of N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide (CID 67969892) is N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The canonical SMILES for N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Cl)cc3NS(=O)(=O)c3cc4ccccc4o3)cccc12.
What is the InChIKey of N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
The InChIKey is JBBNCWHAWCXRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O5S2/c1-30(2)23-10-5-9-20-19(23)8-6-12-25(20)36(31,32)28-21-14-13-18(27)16-22(21)29-37(33,34)26-15-17-7-3-4-11-24(17)35-26/h3-16,28-29H,1-2H3.
What are the key properties of N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide?
N-[5-chloro-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide has a molecular weight of 556.07 g/mol, XLogP of 5.91, 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-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 67969892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).