N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide

C10H14BrFN2O2S — CID 63254005

IUPACN-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
SMILESCC(N)CCNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H14BrFN2O2S/c1-7(13)4-5-14-17(15,16)10-3-2-8(12)6-9(10)11/h2-3,6-7,14H,4-5,13H2,1H3
InChIKeyWZGPTHIFLVNJKX-UHFFFAOYSA-N
MW325.20 g/mol
LogP1.60
Rot. Bonds5

About N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide

N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide (PubChem CID 63254005) has the molecular formula C10H14BrFN2O2S and a molecular weight of 325.20 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
PubChem CID63254005
Molecular FormulaC10H14BrFN2O2S
Molecular Weight325.20 g/mol
Exact Mass323.99
IUPAC NameN-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
SMILESCC(N)CCNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H14BrFN2O2S/c1-7(13)4-5-14-17(15,16)10-3-2-8(12)6-9(10)11/h2-3,6-7,14H,4-5,13H2,1H3
InChIKeyWZGPTHIFLVNJKX-UHFFFAOYSA-N
XLogP1.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
CID 55169700
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
N-(3-aminobutyl)-3-bromo-4-fluorobenzenesulfonamide
CID 119972812
2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide
CID 79090264
N-(3-aminobutyl)-4-bromo-5-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 120708578
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47305418
2-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027
methyl 4-[(2-bromo-4-fluorophenyl)sulfonylamino]butanoate
CID 61060420
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide (CID 63254005) is N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide is CC(N)CCNS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide?
The InChIKey is WZGPTHIFLVNJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S/c1-7(13)4-5-14-17(15,16)10-3-2-8(12)6-9(10)11/h2-3,6-7,14H,4-5,13H2,1H3.
What are the key properties of N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide?
N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide has a molecular weight of 325.20 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63254005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).