2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide

C18H20Cl2N4O4S — CID 118706826

IUPAC2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2CCN(C)C
InChIInChI=1S/C18H20Cl2N4O4S/c1-23(2)7-8-24-14-10-15(28-3)13(9-12(14)21-18(24)25)22-29(26,27)16-6-4-5-11(19)17(16)20/h4-6,9-10,22H,7-8H2,1-3H3,(H,21,25)
InChIKeyCGTRKNMCQHXJSM-UHFFFAOYSA-N
MW459.36 g/mol
LogP3.01
Rot. Bonds7

About 2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide

2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 118706826) has the molecular formula C18H20Cl2N4O4S and a molecular weight of 459.36 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID118706826
Molecular FormulaC18H20Cl2N4O4S
Molecular Weight459.36 g/mol
Exact Mass458.06
IUPAC Name2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2CCN(C)C
InChIInChI=1S/C18H20Cl2N4O4S/c1-23(2)7-8-24-14-10-15(28-3)13(9-12(14)21-18(24)25)22-29(26,27)16-6-4-5-11(19)17(16)20/h4-6,9-10,22H,7-8H2,1-3H3,(H,21,25)
InChIKeyCGTRKNMCQHXJSM-UHFFFAOYSA-N
XLogP3.01
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide (CID 118706826) is 2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide is COc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2CCN(C)C.
What is the InChIKey of 2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is CGTRKNMCQHXJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O4S/c1-23(2)7-8-24-14-10-15(28-3)13(9-12(14)21-18(24)25)22-29(26,27)16-6-4-5-11(19)17(16)20/h4-6,9-10,22H,7-8H2,1-3H3,(H,21,25).
What are the key properties of 2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide?
2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 459.36 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-6-methoxy-2-oxo-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 118706826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).