2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide

C15H13Cl2N3O4S — CID 118706818

IUPAC2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C
InChIInChI=1S/C15H13Cl2N3O4S/c1-20-11-7-12(24-2)10(6-9(11)18-15(20)21)19-25(22,23)13-5-3-4-8(16)14(13)17/h3-7,19H,1-2H3,(H,18,21)
InChIKeyQXMHYDRJALDQHP-UHFFFAOYSA-N
MW402.26 g/mol
LogP2.98
Rot. Bonds4

About 2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide

2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 118706818) has the molecular formula C15H13Cl2N3O4S and a molecular weight of 402.26 g/mol. Its IUPAC name is 2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID118706818
Molecular FormulaC15H13Cl2N3O4S
Molecular Weight402.26 g/mol
Exact Mass401.00
IUPAC Name2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C
InChIInChI=1S/C15H13Cl2N3O4S/c1-20-11-7-12(24-2)10(6-9(11)18-15(20)21)19-25(22,23)13-5-3-4-8(16)14(13)17/h3-7,19H,1-2H3,(H,18,21)
InChIKeyQXMHYDRJALDQHP-UHFFFAOYSA-N
XLogP2.98
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide (CID 118706818) is 2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide is COc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C.
What is the InChIKey of 2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is QXMHYDRJALDQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O4S/c1-20-11-7-12(24-2)10(6-9(11)18-15(20)21)19-25(22,23)13-5-3-4-8(16)14(13)17/h3-7,19H,1-2H3,(H,18,21).
What are the key properties of 2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 402.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118706818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).