6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C14H11ClFN3O3S — CID 53092136

IUPAC6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Cl)cc1F
InChIInChI=1S/C14H11ClFN3O3S/c1-7-2-3-8(4-10(7)16)19-23(21,22)13-6-12-11(5-9(13)15)17-14(20)18-12/h2-6,19H,1H3,(H2,17,18,20)
InChIKeyQRYHDXIFPAXXMJ-UHFFFAOYSA-N
MW355.78 g/mol
LogP2.76
Rot. Bonds3

About 6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 53092136) has the molecular formula C14H11ClFN3O3S and a molecular weight of 355.78 g/mol. Its IUPAC name is 6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID53092136
Molecular FormulaC14H11ClFN3O3S
Molecular Weight355.78 g/mol
Exact Mass355.02
IUPAC Name6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Cl)cc1F
InChIInChI=1S/C14H11ClFN3O3S/c1-7-2-3-8(4-10(7)16)19-23(21,22)13-6-12-11(5-9(13)15)17-14(20)18-12/h2-6,19H,1H3,(H2,17,18,20)
InChIKeyQRYHDXIFPAXXMJ-UHFFFAOYSA-N
XLogP2.76
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 53092136) is 6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Cl)cc1F.
What is the InChIKey of 6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is QRYHDXIFPAXXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O3S/c1-7-2-3-8(4-10(7)16)19-23(21,22)13-6-12-11(5-9(13)15)17-14(20)18-12/h2-6,19H,1H3,(H2,17,18,20).
What are the key properties of 6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 355.78 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 53092136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).