N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride

C11H18ClFN2O2S — CID 120583305

IUPACN-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCCCN)c(F)c1.Cl
InChIInChI=1S/C11H17FN2O2S.ClH/c1-9-4-5-11(10(12)8-9)17(15,16)14-7-3-2-6-13;/h4-5,8,14H,2-3,6-7,13H2,1H3;1H
InChIKeyKAUWSVHBCFDQPH-UHFFFAOYSA-N
MW296.79 g/mol
LogP1.57
Rot. Bonds6

About N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride

N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 120583305) has the molecular formula C11H18ClFN2O2S and a molecular weight of 296.79 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
PubChem CID120583305
Molecular FormulaC11H18ClFN2O2S
Molecular Weight296.79 g/mol
Exact Mass296.08
IUPAC NameN-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCCCN)c(F)c1.Cl
InChIInChI=1S/C11H17FN2O2S.ClH/c1-9-4-5-11(10(12)8-9)17(15,16)14-7-3-2-6-13;/h4-5,8,14H,2-3,6-7,13H2,1H3;1H
InChIKeyKAUWSVHBCFDQPH-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86814122
N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride
CID 120583388
N-ethyl-2-fluoro-4-methylbenzenesulfonamide
CID 130158865
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide
CID 119989897
N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
N-(4-aminobutyl)-5-bromo-4-fluoro-2-methylbenzenesulfonamide
CID 120713373
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
4-(aminomethyl)-2-fluoro-N-(4-methoxybutyl)benzenesulfonamide
CID 106054066
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
N-(4-aminobutyl)-4-tert-butyl-2,6-dimethylbenzenesulfonamide;hydrochloride
CID 120583236

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride (CID 120583305) is N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCCCCN)c(F)c1.Cl.
What is the InChIKey of N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is KAUWSVHBCFDQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S.ClH/c1-9-4-5-11(10(12)8-9)17(15,16)14-7-3-2-6-13;/h4-5,8,14H,2-3,6-7,13H2,1H3;1H.
What are the key properties of N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride?
N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 296.79 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120583305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).