2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

C14H11Cl2N3O4S — CID 118706817

IUPAC2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCOc1cc2[nH]c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N3O4S/c1-23-11-6-9-8(17-14(20)18-9)5-10(11)19-24(21,22)12-4-2-3-7(15)13(12)16/h2-6,19H,1H3,(H2,17,18,20)
InChIKeyRQWNFNYBAAPHTG-UHFFFAOYSA-N
MW388.23 g/mol
LogP2.97
Rot. Bonds4

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

2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 118706817) has the molecular formula C14H11Cl2N3O4S and a molecular weight of 388.23 g/mol. Its IUPAC name is 2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID118706817
Molecular FormulaC14H11Cl2N3O4S
Molecular Weight388.23 g/mol
Exact Mass386.98
IUPAC Name2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCOc1cc2[nH]c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N3O4S/c1-23-11-6-9-8(17-14(20)18-9)5-10(11)19-24(21,22)12-4-2-3-7(15)13(12)16/h2-6,19H,1H3,(H2,17,18,20)
InChIKeyRQWNFNYBAAPHTG-UHFFFAOYSA-N
XLogP2.97
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 118706817) is 2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is COc1cc2[nH]c(=O)[nH]c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is RQWNFNYBAAPHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O4S/c1-23-11-6-9-8(17-14(20)18-9)5-10(11)19-24(21,22)12-4-2-3-7(15)13(12)16/h2-6,19H,1H3,(H2,17,18,20).
What are the key properties of 2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 388.23 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118706817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).