1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride

C13H18ClFN2O2S — CID 120721822

IUPAC1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1cccc(F)c1)NCC1=CCNCC1
InChIInChI=1S/C13H17FN2O2S.ClH/c14-13-3-1-2-12(8-13)10-19(17,18)16-9-11-4-6-15-7-5-11;/h1-4,8,15-16H,5-7,9-10H2;1H
InChIKeyNSZARCBXAYRRSN-UHFFFAOYSA-N
MW320.82 g/mol
LogP1.59
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride

1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride (PubChem CID 120721822) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
PubChem CID120721822
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1cccc(F)c1)NCC1=CCNCC1
InChIInChI=1S/C13H17FN2O2S.ClH/c14-13-3-1-2-12(8-13)10-19(17,18)16-9-11-4-6-15-7-5-11;/h1-4,8,15-16H,5-7,9-10H2;1H
InChIKeyNSZARCBXAYRRSN-UHFFFAOYSA-N
XLogP1.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride (CID 120721822) is 1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride is Cl.O=S(=O)(Cc1cccc(F)c1)NCC1=CCNCC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride?
The InChIKey is NSZARCBXAYRRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S.ClH/c14-13-3-1-2-12(8-13)10-19(17,18)16-9-11-4-6-15-7-5-11;/h1-4,8,15-16H,5-7,9-10H2;1H.
What are the key properties of 1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride?
1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120721822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).