3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

C18H29ClFN3O3S — CID 146065152

IUPAC3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(CCN2CCOCC2)C2CCCNC2)cc1F.Cl
InChIInChI=1S/C18H28FN3O3S.ClH/c1-15-4-5-17(13-18(15)19)26(23,24)22(16-3-2-6-20-14-16)8-7-21-9-11-25-12-10-21;/h4-5,13,16,20H,2-3,6-12,14H2,1H3;1H
InChIKeyJVFJICNMWZGMKK-UHFFFAOYSA-N
MW421.97 g/mol
LogP1.63
Rot. Bonds6

About 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride

3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 146065152) has the molecular formula C18H29ClFN3O3S and a molecular weight of 421.97 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID146065152
Molecular FormulaC18H29ClFN3O3S
Molecular Weight421.97 g/mol
Exact Mass421.16
IUPAC Name3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(CCN2CCOCC2)C2CCCNC2)cc1F.Cl
InChIInChI=1S/C18H28FN3O3S.ClH/c1-15-4-5-17(13-18(15)19)26(23,24)22(16-3-2-6-20-14-16)8-7-21-9-11-25-12-10-21;/h4-5,13,16,20H,2-3,6-12,14H2,1H3;1H
InChIKeyJVFJICNMWZGMKK-UHFFFAOYSA-N
XLogP1.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride (CID 146065152) is 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)N(CCN2CCOCC2)C2CCCNC2)cc1F.Cl.
What is the InChIKey of 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is JVFJICNMWZGMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O3S.ClH/c1-15-4-5-17(13-18(15)19)26(23,24)22(16-3-2-6-20-14-16)8-7-21-9-11-25-12-10-21;/h4-5,13,16,20H,2-3,6-12,14H2,1H3;1H.
What are the key properties of 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride?
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 421.97 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 146065152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).