2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

C16H17N3O3S — CID 3480396

IUPAC2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C16H17N3O3S/c1-9-6-10(2)15(11(3)7-9)23(21,22)19-12-4-5-13-14(8-12)18-16(20)17-13/h4-8,19H,1-3H3,(H2,17,18,20)
InChIKeyPMHDEKPSSFITSW-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.58
Rot. Bonds3

About 2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 3480396) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID3480396
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C16H17N3O3S/c1-9-6-10(2)15(11(3)7-9)23(21,22)19-12-4-5-13-14(8-12)18-16(20)17-13/h4-8,19H,1-3H3,(H2,17,18,20)
InChIKeyPMHDEKPSSFITSW-UHFFFAOYSA-N
XLogP2.58
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 3480396) is 2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is PMHDEKPSSFITSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-9-6-10(2)15(11(3)7-9)23(21,22)19-12-4-5-13-14(8-12)18-16(20)17-13/h4-8,19H,1-3H3,(H2,17,18,20).
What are the key properties of 2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 3480396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).