2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

C16H15Cl2N3O4S — CID 118706820

IUPAC2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)n(C)c(=O)n2C
InChIInChI=1S/C16H15Cl2N3O4S/c1-20-11-7-10(13(25-3)8-12(11)21(2)16(20)22)19-26(23,24)14-6-4-5-9(17)15(14)18/h4-8,19H,1-3H3
InChIKeyRTAFOJSIAMCXTI-UHFFFAOYSA-N
MW416.29 g/mol
LogP2.99
Rot. Bonds4

About 2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 118706820) has the molecular formula C16H15Cl2N3O4S and a molecular weight of 416.29 g/mol. Its IUPAC name is 2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
PubChem CID118706820
Molecular FormulaC16H15Cl2N3O4S
Molecular Weight416.29 g/mol
Exact Mass415.02
IUPAC Name2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)n(C)c(=O)n2C
InChIInChI=1S/C16H15Cl2N3O4S/c1-20-11-7-10(13(25-3)8-12(11)21(2)16(20)22)19-26(23,24)14-6-4-5-9(17)15(14)18/h4-8,19H,1-3H3
InChIKeyRTAFOJSIAMCXTI-UHFFFAOYSA-N
XLogP2.99
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl]benzenesulfonamide
CID 50796602
5-chloro-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-methoxybenzenesulfonamide
CID 15990071
4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide
CID 50796734
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 50796790
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-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-2-oxo-3H-benzimidazol-1-yl]acetamide
CID 118706821
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
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-methoxybenzenesulfonamide
CID 127029369

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (CID 118706820) is 2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is COc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)n(C)c(=O)n2C.
What is the InChIKey of 2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is RTAFOJSIAMCXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O4S/c1-20-11-7-10(13(25-3)8-12(11)21(2)16(20)22)19-26(23,24)14-6-4-5-9(17)15(14)18/h4-8,19H,1-3H3.
What are the key properties of 2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 416.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118706820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).