2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide

C16H14Cl2N4O5S — CID 118706821

IUPAC2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2CC(N)=O
InChIInChI=1S/C16H14Cl2N4O5S/c1-27-12-6-11-9(20-16(24)22(11)7-14(19)23)5-10(12)21-28(25,26)13-4-2-3-8(17)15(13)18/h2-6,21H,7H2,1H3,(H2,19,23)(H,20,24)
InChIKeyRTKXXPLKGGWMEF-UHFFFAOYSA-N
MW445.28 g/mol
LogP1.93
Rot. Bonds6

About 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide

2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide (PubChem CID 118706821) has the molecular formula C16H14Cl2N4O5S and a molecular weight of 445.28 g/mol. Its IUPAC name is 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide
PubChem CID118706821
Molecular FormulaC16H14Cl2N4O5S
Molecular Weight445.28 g/mol
Exact Mass444.01
IUPAC Name2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2CC(N)=O
InChIInChI=1S/C16H14Cl2N4O5S/c1-27-12-6-11-9(20-16(24)22(11)7-14(19)23)5-10(12)21-28(25,26)13-4-2-3-8(17)15(13)18/h2-6,21H,7H2,1H3,(H2,19,23)(H,20,24)
InChIKeyRTKXXPLKGGWMEF-UHFFFAOYSA-N
XLogP1.93
TPSA136.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.28
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide with MolForge

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Related Compounds

4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide
CID 50796734
2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 118706817
2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 118706818
2,3-dichloro-N-(6-methoxy-2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 118706823
2,3-dichloro-N-[6-methoxy-1-(oxetan-3-yl)-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide
CID 118706824
N-[1-(azetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide
CID 118706828
N-[1-(1-acetylazetidin-3-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]-2,3-dichlorobenzenesulfonamide
CID 118706829
2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 118706820
2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 118706825
2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide
CID 118706826
2,3-dichloro-N-[1-(1,3-dihydroxypropan-2-yl)-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide
CID 118706827
2,3-dichloro-N-(6-methoxy-3-methyl-2-oxo-1H-benzimidazol-5-yl)benzenesulfonamide
CID 118706819

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide?
The IUPAC name of 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide (CID 118706821) is 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide is COc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2CC(N)=O.
What is the InChIKey of 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide?
The InChIKey is RTKXXPLKGGWMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O5S/c1-27-12-6-11-9(20-16(24)22(11)7-14(19)23)5-10(12)21-28(25,26)13-4-2-3-8(17)15(13)18/h2-6,21H,7H2,1H3,(H2,19,23)(H,20,24).
What are the key properties of 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide?
2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide has a molecular weight of 445.28 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide is sourced from PubChem (CID 118706821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).