4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide

C14H22FN3O2S — CID 106643519

IUPAC4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide
SMILESCCN(CC1CCCNC1)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C14H22FN3O2S/c1-2-18(10-11-4-3-7-17-9-11)14-6-5-12(8-13(14)15)21(16,19)20/h5-6,8,11,17H,2-4,7,9-10H2,1H3,(H2,16,19,20)
InChIKeyANJAXFMSYRSMKN-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.30
Rot. Bonds5

About 4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide

4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide (PubChem CID 106643519) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide
PubChem CID106643519
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide
SMILESCCN(CC1CCCNC1)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C14H22FN3O2S/c1-2-18(10-11-4-3-7-17-9-11)14-6-5-12(8-13(14)15)21(16,19)20/h5-6,8,11,17H,2-4,7,9-10H2,1H3,(H2,16,19,20)
InChIKeyANJAXFMSYRSMKN-UHFFFAOYSA-N
XLogP1.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106643566
2-[ethyl(piperidin-3-ylmethyl)amino]benzenesulfonamide
CID 106643533
4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
CID 106643953
3-fluoro-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
CID 106621377
4-fluoro-N-(piperidin-3-ylmethyl)-N-propylbenzenesulfonamide
CID 106631281
2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide
CID 106643534
N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283
3-fluoro-4-[methyl(piperidin-2-ylmethyl)amino]benzenesulfonamide
CID 106642160
6-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-sulfonamide
CID 106642822
2-bromo-4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzonitrile
CID 107537813
4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde
CID 107399466
N-ethyl-3-iodo-4-nitro-N-(piperidin-3-ylmethyl)aniline
CID 106643390

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide (CID 106643519) is 4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide is CCN(CC1CCCNC1)c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide?
The InChIKey is ANJAXFMSYRSMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-2-18(10-11-4-3-7-17-9-11)14-6-5-12(8-13(14)15)21(16,19)20/h5-6,8,11,17H,2-4,7,9-10H2,1H3,(H2,16,19,20).
What are the key properties of 4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide?
4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(piperidin-3-ylmethyl)amino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 106643519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).