N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride

C10H16ClFN2O2S — CID 86780635

IUPACN-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(F)cc(S(=O)(=O)NCCCN)c1.Cl
InChIInChI=1S/C10H15FN2O2S.ClH/c1-8-5-9(11)7-10(6-8)16(14,15)13-4-2-3-12;/h5-7,13H,2-4,12H2,1H3;1H
InChIKeySMGWMNSZDJTXCI-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.18
Rot. Bonds5

About N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride

N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride (PubChem CID 86780635) has the molecular formula C10H16ClFN2O2S and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride
PubChem CID86780635
Molecular FormulaC10H16ClFN2O2S
Molecular Weight282.77 g/mol
Exact Mass282.06
IUPAC NameN-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(F)cc(S(=O)(=O)NCCCN)c1.Cl
InChIInChI=1S/C10H15FN2O2S.ClH/c1-8-5-9(11)7-10(6-8)16(14,15)13-4-2-3-12;/h5-7,13H,2-4,12H2,1H3;1H
InChIKeySMGWMNSZDJTXCI-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.18
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-(3-aminopropyl)-3,5-dimethylbenzenesulfonamide
CID 60777976
N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride
CID 119961978
N-(3-aminopropyl)-3-fluoro-4-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120706710
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-(2-aminoethyl)-3-bromo-5-methylbenzenesulfonamide
CID 120706185
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113
N-(3-aminopropyl)-4-fluoro-3-methyl-5-nitrobenzenesulfonamide
CID 115421926
N-(3-aminopropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120706699
3,5-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606868
N-(3-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 119961970
N-(4-aminobutyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 120583305
3-amino-5-methyl-N-pentylbenzenesulfonamide
CID 43256263

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride (CID 86780635) is N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride is Cc1cc(F)cc(S(=O)(=O)NCCCN)c1.Cl.
What is the InChIKey of N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride?
The InChIKey is SMGWMNSZDJTXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S.ClH/c1-8-5-9(11)7-10(6-8)16(14,15)13-4-2-3-12;/h5-7,13H,2-4,12H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 86780635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).