1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide

C14H20N4O3S — CID 119960641

IUPAC1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCNCC3)ccc21
InChIInChI=1S/C14H20N4O3S/c1-17-12-4-3-11(9-13(12)18(2)14(17)19)22(20,21)16-10-5-7-15-8-6-10/h3-4,9-10,15-16H,5-8H2,1-2H3
InChIKeyMOYBGEZZDWSWHD-UHFFFAOYSA-N
MW324.41 g/mol
LogP-0.09
Rot. Bonds3

About 1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide

1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide (PubChem CID 119960641) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide
PubChem CID119960641
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCNCC3)ccc21
InChIInChI=1S/C14H20N4O3S/c1-17-12-4-3-11(9-13(12)18(2)14(17)19)22(20,21)16-10-5-7-15-8-6-10/h3-4,9-10,15-16H,5-8H2,1-2H3
InChIKeyMOYBGEZZDWSWHD-UHFFFAOYSA-N
XLogP-0.09
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one
CID 146041276
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960505
3-fluoro-4-methylsulfonyl-N-piperidin-4-ylbenzenesulfonamide
CID 119960411
N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 28811020
1-N,2-dimethyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120874426
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
2-oxo-N-piperidin-4-ylchromene-6-sulfonamide
CID 43603317
N-[(4-hydroxyazepan-4-yl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 56889998

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide (CID 119960641) is 1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCNCC3)ccc21.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide?
The InChIKey is MOYBGEZZDWSWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-17-12-4-3-11(9-13(12)18(2)14(17)19)22(20,21)16-10-5-7-15-8-6-10/h3-4,9-10,15-16H,5-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide?
1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide has a molecular weight of 324.41 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N-piperidin-4-ylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 119960641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).