4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride

C10H15BrClFN2O2S — CID 120707308

IUPAC4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1ccc(Br)cc1F.Cl
InChIInChI=1S/C10H14BrFN2O2S.ClH/c1-13-5-2-6-14-17(15,16)10-4-3-8(11)7-9(10)12;/h3-4,7,13-14H,2,5-6H2,1H3;1H
InChIKeyUTGUKEOCSNVRGE-UHFFFAOYSA-N
MW361.66 g/mol
LogP1.90
Rot. Bonds6

About 4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride

4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 120707308) has the molecular formula C10H15BrClFN2O2S and a molecular weight of 361.66 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID120707308
Molecular FormulaC10H15BrClFN2O2S
Molecular Weight361.66 g/mol
Exact Mass359.97
IUPAC Name4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1ccc(Br)cc1F.Cl
InChIInChI=1S/C10H14BrFN2O2S.ClH/c1-13-5-2-6-14-17(15,16)10-4-3-8(11)7-9(10)12;/h3-4,7,13-14H,2,5-6H2,1H3;1H
InChIKeyUTGUKEOCSNVRGE-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.66
LogP ≤ 51.90
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

2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
4-bromo-2-fluoro-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 104922244
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
4-bromo-N-(2-butoxyethyl)-2-fluorobenzenesulfonamide
CID 116528205
4-bromo-2-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 104919595
4-bromo-2-fluoro-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 104919371

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 120707308) is 4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNCCCNS(=O)(=O)c1ccc(Br)cc1F.Cl.
What is the InChIKey of 4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is UTGUKEOCSNVRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S.ClH/c1-13-5-2-6-14-17(15,16)10-4-3-8(11)7-9(10)12;/h3-4,7,13-14H,2,5-6H2,1H3;1H.
What are the key properties of 4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 361.66 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120707308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).