N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride

C15H23ClFN3O3S — CID 120583476

IUPACN-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCl.NCCCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1
InChIInChI=1S/C15H22FN3O3S.ClH/c16-14-11-12(23(21,22)18-8-2-1-7-17)5-6-13(14)15(20)19-9-3-4-10-19;/h5-6,11,18H,1-4,7-10,17H2;1H
InChIKeyBDBSGSCVODDYCT-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.50
Rot. Bonds7

About N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride

N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride (PubChem CID 120583476) has the molecular formula C15H23ClFN3O3S and a molecular weight of 379.89 g/mol. Its IUPAC name is N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
PubChem CID120583476
Molecular FormulaC15H23ClFN3O3S
Molecular Weight379.89 g/mol
Exact Mass379.11
IUPAC NameN-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCl.NCCCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1
InChIInChI=1S/C15H22FN3O3S.ClH/c16-14-11-12(23(21,22)18-8-2-1-7-17)5-6-13(14)15(20)19-9-3-4-10-19;/h5-6,11,18H,1-4,7-10,17H2;1H
InChIKeyBDBSGSCVODDYCT-UHFFFAOYSA-N
XLogP1.50
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[2-(propylamino)ethyl]-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 120716388
N-(2-aminopropyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119050679
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280836
N-pentyl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059171
N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide
CID 120583268
N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
N-(4-aminobutyl)-4-(ethylsulfonylamino)-3-fluorobenzenesulfonamide;hydrochloride
CID 120583201
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119962345
3,4-difluoro-N-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 38357337
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
3,4-difluoro-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55851497

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride (CID 120583476) is N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride is Cl.NCCCCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1.
What is the InChIKey of N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride?
The InChIKey is BDBSGSCVODDYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S.ClH/c16-14-11-12(23(21,22)18-8-2-1-7-17)5-6-13(14)15(20)19-9-3-4-10-19;/h5-6,11,18H,1-4,7-10,17H2;1H.
What are the key properties of N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride?
N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-3-fluoro-4-(pyrrolidine-1-carbonyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120583476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).