3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

C15H15N3O3S — CID 971288

IUPAC3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C
InChIInChI=1S/C15H15N3O3S/c1-9-3-5-12(7-10(9)2)22(20,21)18-11-4-6-13-14(8-11)17-15(19)16-13/h3-8,18H,1-2H3,(H2,16,17,19)
InChIKeyMPUTZAPPPMRCBD-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.27
Rot. Bonds3

About 3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 971288) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID971288
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C
InChIInChI=1S/C15H15N3O3S/c1-9-3-5-12(7-10(9)2)22(20,21)18-11-4-6-13-14(8-11)17-15(19)16-13/h3-8,18H,1-2H3,(H2,16,17,19)
InChIKeyMPUTZAPPPMRCBD-UHFFFAOYSA-N
XLogP2.27
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 971288) is 3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is MPUTZAPPPMRCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-3-5-12(7-10(9)2)22(20,21)18-11-4-6-13-14(8-11)17-15(19)16-13/h3-8,18H,1-2H3,(H2,16,17,19).
What are the key properties of 3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 971288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).