N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C15H14ClN3O5S — CID 7602669

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1Cl
InChIInChI=1S/C15H14ClN3O5S/c1-23-13-7-14(24-2)12(6-9(13)16)19-25(21,22)8-3-4-10-11(5-8)18-15(20)17-10/h3-7,19H,1-2H3,(H2,17,18,20)
InChIKeyVCQBGTATQMOWMS-UHFFFAOYSA-N
MW383.81 g/mol
LogP2.33
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 7602669) has the molecular formula C15H14ClN3O5S and a molecular weight of 383.81 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID7602669
Molecular FormulaC15H14ClN3O5S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1Cl
InChIInChI=1S/C15H14ClN3O5S/c1-23-13-7-14(24-2)12(6-9(13)16)19-25(21,22)8-3-4-10-11(5-8)18-15(20)17-10/h3-7,19H,1-2H3,(H2,17,18,20)
InChIKeyVCQBGTATQMOWMS-UHFFFAOYSA-N
XLogP2.33
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 7602669) is N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is COc1cc(OC)c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is VCQBGTATQMOWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S/c1-23-13-7-14(24-2)12(6-9(13)16)19-25(21,22)8-3-4-10-11(5-8)18-15(20)17-10/h3-7,19H,1-2H3,(H2,17,18,20).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 383.81 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 7602669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).