6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate

C13H8Cl2N3O3S- — CID 2471823

IUPAC6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate
SMILESO=S(=O)(Nc1ccc2nc([O-])[nH]c2c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N3O3S/c14-7-1-3-9(15)12(5-7)22(20,21)18-8-2-4-10-11(6-8)17-13(19)16-10/h1-6,18H,(H2,16,17,19)/p-1
InChIKeyRYUDBWNYIDJLRC-UHFFFAOYSA-M
MW357.20 g/mol
LogP2.74
Rot. Bonds3

About 6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate

6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate (PubChem CID 2471823) has the molecular formula C13H8Cl2N3O3S- and a molecular weight of 357.20 g/mol. Its IUPAC name is 6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate.

Molecular Properties

Compound Name6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate
PubChem CID2471823
Molecular FormulaC13H8Cl2N3O3S-
Molecular Weight357.20 g/mol
Exact Mass355.97
IUPAC Name6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate
SMILESO=S(=O)(Nc1ccc2nc([O-])[nH]c2c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N3O3S/c14-7-1-3-9(15)12(5-7)22(20,21)18-8-2-4-10-11(6-8)17-13(19)16-10/h1-6,18H,(H2,16,17,19)/p-1
InChIKeyRYUDBWNYIDJLRC-UHFFFAOYSA-M
XLogP2.74
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-methylquinolin-6-yl)benzenesulfonamide
CID 11280072
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
2,4,5-trichloro-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 22773572
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,5-dichlorobenzenesulfonamide
CID 42388553
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,5-dichloro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297620
2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521098
4-chloro-3-(1H-indazol-6-ylsulfamoyl)benzoate
CID 7041976

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate?
The IUPAC name of 6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate (CID 2471823) is 6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate.
What is the SMILES notation for 6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate?
The canonical SMILES for 6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate is O=S(=O)(Nc1ccc2nc([O-])[nH]c2c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate?
The InChIKey is RYUDBWNYIDJLRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9Cl2N3O3S/c14-7-1-3-9(15)12(5-7)22(20,21)18-8-2-4-10-11(6-8)17-13(19)16-10/h1-6,18H,(H2,16,17,19)/p-1.
What are the key properties of 6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate?
6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate has a molecular weight of 357.20 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dichlorophenyl)sulfonylamino]-1H-benzimidazol-2-olate is sourced from PubChem (CID 2471823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).