4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

C18H21N3O3S — CID 20962015

IUPAC4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H21N3O3S/c1-5-13-6-8-14(9-7-13)25(23,24)19-15-11-17-16(10-12(15)2)20(3)18(22)21(17)4/h6-11,19H,5H2,1-4H3
InChIKeyQYOSVLFVQJCFJB-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.55
Rot. Bonds4

About 4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 20962015) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
PubChem CID20962015
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)cc1
InChIInChI=1S/C18H21N3O3S/c1-5-13-6-8-14(9-7-13)25(23,24)19-15-11-17-16(10-12(15)2)20(3)18(22)21(17)4/h6-11,19H,5H2,1-4H3
InChIKeyQYOSVLFVQJCFJB-UHFFFAOYSA-N
XLogP2.55
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (CID 20962015) is 4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)cc1.
What is the InChIKey of 4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is QYOSVLFVQJCFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-5-13-6-8-14(9-7-13)25(23,24)19-15-11-17-16(10-12(15)2)20(3)18(22)21(17)4/h6-11,19H,5H2,1-4H3.
What are the key properties of 4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20962015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).