N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide

C21H25FN4O3S — CID 22433218

IUPACN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)ccc1F
InChIInChI=1S/C21H25FN4O3S/c1-14-11-15(7-8-16(14)22)30(28,29)23-17-12-19-20(25(3)21(27)24(19)2)13-18(17)26-9-5-4-6-10-26/h7-8,11-13,23H,4-6,9-10H2,1-3H3
InChIKeyWQDMMQMUIVNAMJ-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.12
Rot. Bonds4

About N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide

N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 22433218) has the molecular formula C21H25FN4O3S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide
PubChem CID22433218
Molecular FormulaC21H25FN4O3S
Molecular Weight432.52 g/mol
Exact Mass432.16
IUPAC NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)ccc1F
InChIInChI=1S/C21H25FN4O3S/c1-14-11-15(7-8-16(14)22)30(28,29)23-17-12-19-20(25(3)21(27)24(19)2)13-18(17)26-9-5-4-6-10-26/h7-8,11-13,23H,4-6,9-10H2,1-3H3
InChIKeyWQDMMQMUIVNAMJ-UHFFFAOYSA-N
XLogP3.12
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide (CID 22433218) is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)ccc1F.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is WQDMMQMUIVNAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3S/c1-14-11-15(7-8-16(14)22)30(28,29)23-17-12-19-20(25(3)21(27)24(19)2)13-18(17)26-9-5-4-6-10-26/h7-8,11-13,23H,4-6,9-10H2,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 432.52 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 22433218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).