4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide

C14H22FN3O2S — CID 82845259

IUPAC4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C14H22FN3O2S/c1-3-18-8-6-11(7-9-18)17(2)21(19,20)12-4-5-14(16)13(15)10-12/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyQBPRIUXYVMQGHR-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.51
Rot. Bonds4

About 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide

4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 82845259) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
PubChem CID82845259
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCCN1CCC(N(C)S(=O)(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C14H22FN3O2S/c1-3-18-8-6-11(7-9-18)17(2)21(19,20)12-4-5-14(16)13(15)10-12/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyQBPRIUXYVMQGHR-UHFFFAOYSA-N
XLogP1.51
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide (CID 82845259) is 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide is CCN1CCC(N(C)S(=O)(=O)c2ccc(N)c(F)c2)CC1.
What is the InChIKey of 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is QBPRIUXYVMQGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-3-18-8-6-11(7-9-18)17(2)21(19,20)12-4-5-14(16)13(15)10-12/h4-5,10-11H,3,6-9,16H2,1-2H3.
What are the key properties of 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide?
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 82845259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).