4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide

C21H25FN4O2S — CID 133445357

IUPAC4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide
SMILESCCc1nc2ccccc2n1C1CCN(c2ccc(S(=O)(=O)NC)cc2F)CC1
InChIInChI=1S/C21H25FN4O2S/c1-3-21-24-18-6-4-5-7-20(18)26(21)15-10-12-25(13-11-15)19-9-8-16(14-17(19)22)29(27,28)23-2/h4-9,14-15,23H,3,10-13H2,1-2H3
InChIKeyVYBOIMKVRISNGH-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.49
Rot. Bonds5

About 4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide

4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 133445357) has the molecular formula C21H25FN4O2S and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide
PubChem CID133445357
Molecular FormulaC21H25FN4O2S
Molecular Weight416.52 g/mol
Exact Mass416.17
IUPAC Name4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide
SMILESCCc1nc2ccccc2n1C1CCN(c2ccc(S(=O)(=O)NC)cc2F)CC1
InChIInChI=1S/C21H25FN4O2S/c1-3-21-24-18-6-4-5-7-20(18)26(21)15-10-12-25(13-11-15)19-9-8-16(14-17(19)22)29(27,28)23-2/h4-9,14-15,23H,3,10-13H2,1-2H3
InChIKeyVYBOIMKVRISNGH-UHFFFAOYSA-N
XLogP3.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide (CID 133445357) is 4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide is CCc1nc2ccccc2n1C1CCN(c2ccc(S(=O)(=O)NC)cc2F)CC1.
What is the InChIKey of 4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is VYBOIMKVRISNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2S/c1-3-21-24-18-6-4-5-7-20(18)26(21)15-10-12-25(13-11-15)19-9-8-16(14-17(19)22)29(27,28)23-2/h4-9,14-15,23H,3,10-13H2,1-2H3.
What are the key properties of 4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide?
4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 133445357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).