5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide

C14H22FN3O2S — CID 106075371

IUPAC5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide
SMILESCCNCc1ccc(F)c(S(=O)(=O)NN2CCCCC2)c1
InChIInChI=1S/C14H22FN3O2S/c1-2-16-11-12-6-7-13(15)14(10-12)21(19,20)17-18-8-4-3-5-9-18/h6-7,10,16-17H,2-5,8-9,11H2,1H3
InChIKeyPOPSGGZCZYHAMH-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.61
Rot. Bonds6

About 5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide

5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide (PubChem CID 106075371) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide
PubChem CID106075371
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide
SMILESCCNCc1ccc(F)c(S(=O)(=O)NN2CCCCC2)c1
InChIInChI=1S/C14H22FN3O2S/c1-2-16-11-12-6-7-13(15)14(10-12)21(19,20)17-18-8-4-3-5-9-18/h6-7,10,16-17H,2-5,8-9,11H2,1H3
InChIKeyPOPSGGZCZYHAMH-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylbutyl)-5-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 106085625
N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 84753474
N-[[4-fluoro-3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methyl]ethanamine
CID 114414190
5-(ethylaminomethyl)-2-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106081559
3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide
CID 106075428
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105120231
5-(ethylaminomethyl)-2-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988542
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 79190650
N-cyclobutyl-5-(ethylaminomethyl)-2,3-difluorobenzenesulfonamide
CID 105121638
4-(ethylaminomethyl)-2-fluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 106080734
N-[(3,4-difluoro-5-thiomorpholin-4-ylsulfonylphenyl)methyl]ethanamine
CID 105119204

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide (CID 106075371) is 5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide is CCNCc1ccc(F)c(S(=O)(=O)NN2CCCCC2)c1.
What is the InChIKey of 5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide?
The InChIKey is POPSGGZCZYHAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-2-16-11-12-6-7-13(15)14(10-12)21(19,20)17-18-8-4-3-5-9-18/h6-7,10,16-17H,2-5,8-9,11H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide?
5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 106075371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).