3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride

C18H29ClFN3O2S — CID 146065125

IUPAC3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(c1cccc(F)c1)N(CCN1CCCCC1)C1CCCNC1
InChIInChI=1S/C18H28FN3O2S.ClH/c19-16-6-4-8-18(14-16)25(23,24)22(17-7-5-9-20-15-17)13-12-21-10-2-1-3-11-21;/h4,6,8,14,17,20H,1-3,5,7,9-13,15H2;1H
InChIKeyJMUBVVNWBWZESO-UHFFFAOYSA-N
MW405.97 g/mol
LogP2.48
Rot. Bonds6

About 3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride

3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 146065125) has the molecular formula C18H29ClFN3O2S and a molecular weight of 405.97 g/mol. Its IUPAC name is 3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID146065125
Molecular FormulaC18H29ClFN3O2S
Molecular Weight405.97 g/mol
Exact Mass405.17
IUPAC Name3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(c1cccc(F)c1)N(CCN1CCCCC1)C1CCCNC1
InChIInChI=1S/C18H28FN3O2S.ClH/c19-16-6-4-8-18(14-16)25(23,24)22(17-7-5-9-20-15-17)13-12-21-10-2-1-3-11-21;/h4,6,8,14,17,20H,1-3,5,7,9-13,15H2;1H
InChIKeyJMUBVVNWBWZESO-UHFFFAOYSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride (CID 146065125) is 3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(c1cccc(F)c1)N(CCN1CCCCC1)C1CCCNC1.
What is the InChIKey of 3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is JMUBVVNWBWZESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2S.ClH/c19-16-6-4-8-18(14-16)25(23,24)22(17-7-5-9-20-15-17)13-12-21-10-2-1-3-11-21;/h4,6,8,14,17,20H,1-3,5,7,9-13,15H2;1H.
What are the key properties of 3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride?
3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 405.97 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-piperidin-3-yl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 146065125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).