N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide

C20H14Cl3N3O5S3 — CID 71586136

IUPACN-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
SMILESCn1sc(=O)c2cc(S(=O)(=O)Nc3cc(Cl)ccc3NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C20H14Cl3N3O5S3/c1-26-19-5-3-14(10-16(19)20(27)32-26)33(28,29)25-18-9-11(21)2-4-17(18)24-34(30,31)15-7-12(22)6-13(23)8-15/h2-10,24-25H,1H3
InChIKeyRUEVRJKVFVFWKX-UHFFFAOYSA-N
MW578.91 g/mol
LogP5.16
Rot. Bonds6

About N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide

N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide (PubChem CID 71586136) has the molecular formula C20H14Cl3N3O5S3 and a molecular weight of 578.91 g/mol. Its IUPAC name is N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
PubChem CID71586136
Molecular FormulaC20H14Cl3N3O5S3
Molecular Weight578.91 g/mol
Exact Mass576.92
IUPAC NameN-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
SMILESCn1sc(=O)c2cc(S(=O)(=O)Nc3cc(Cl)ccc3NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C20H14Cl3N3O5S3/c1-26-19-5-3-14(10-16(19)20(27)32-26)33(28,29)25-18-9-11(21)2-4-17(18)24-34(30,31)15-7-12(22)6-13(23)8-15/h2-10,24-25H,1H3
InChIKeyRUEVRJKVFVFWKX-UHFFFAOYSA-N
XLogP5.16
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.91
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide with MolForge

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Related Compounds

N-[5-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
CID 71586137
N-[4-[[4-chloro-2-[(1-methyl-3-oxo-2,1-benzothiazol-5-yl)sulfonylamino]phenyl]sulfamoyl]phenyl]acetamide
CID 71586338
N-[5-chloro-2-[[(2-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]amino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
CID 123958646
1-methyl-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-3-oxo-2,1-benzothiazole-5-sulfonamide
CID 71585642
1-methyl-N-[2-[(1-methylimidazol-4-yl)sulfonylamino]phenyl]-3-oxo-2,1-benzothiazole-5-sulfonamide
CID 71585535
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
1-methyl-3-oxo-N-[2-(sulfonylamino)phenyl]-2,1-benzothiazole-5-sulfonamide;1H-1,2,4-triazole
CID 122436694
3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5005138
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
N-(4-chloro-2-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100735297
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 110760324

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide?
The IUPAC name of N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide (CID 71586136) is N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide.
What is the SMILES notation for N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide?
The canonical SMILES for N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide is Cn1sc(=O)c2cc(S(=O)(=O)Nc3cc(Cl)ccc3NS(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21.
What is the InChIKey of N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide?
The InChIKey is RUEVRJKVFVFWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3N3O5S3/c1-26-19-5-3-14(10-16(19)20(27)32-26)33(28,29)25-18-9-11(21)2-4-17(18)24-34(30,31)15-7-12(22)6-13(23)8-15/h2-10,24-25H,1H3.
What are the key properties of N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide?
N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide has a molecular weight of 578.91 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(3,5-dichlorophenyl)sulfonylamino]phenyl]-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide is sourced from PubChem (CID 71586136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).