4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide

C18H22FN3O2S — CID 113343263

IUPAC4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CCCN(Cc3ccccc3)C2)cc1F
InChIInChI=1S/C18H22FN3O2S/c19-17-11-16(8-9-18(17)20)25(23,24)21-15-7-4-10-22(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,21H,4,7,10,12-13,20H2
InChIKeyVPMFELSTAMPNFV-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.35
Rot. Bonds5

About 4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide

4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide (PubChem CID 113343263) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide
PubChem CID113343263
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC Name4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CCCN(Cc3ccccc3)C2)cc1F
InChIInChI=1S/C18H22FN3O2S/c19-17-11-16(8-9-18(17)20)25(23,24)21-15-7-4-10-22(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,21H,4,7,10,12-13,20H2
InChIKeyVPMFELSTAMPNFV-UHFFFAOYSA-N
XLogP2.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
3-N-(1-benzylpyrrolidin-3-yl)benzene-1,3-disulfonamide
CID 55512031
N-(1-benzylpiperidin-3-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 55682147
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 82844406
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091
2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid
CID 64590673
4-amino-N-(1-ethylpiperidin-3-yl)-3-methoxybenzenesulfonamide
CID 81440822
3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
CID 113239291
4-[(1-benzylpiperidin-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113239305

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide (CID 113343263) is 4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide is Nc1ccc(S(=O)(=O)NC2CCCN(Cc3ccccc3)C2)cc1F.
What is the InChIKey of 4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide?
The InChIKey is VPMFELSTAMPNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c19-17-11-16(8-9-18(17)20)25(23,24)21-15-7-4-10-22(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,21H,4,7,10,12-13,20H2.
What are the key properties of 4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide?
4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide has a molecular weight of 363.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 113343263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).