N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide

C10H14ClFN2O2S — CID 63251282

IUPACN-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide
SMILESCC(N)CCNS(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-7(13)5-6-14-17(15,16)9-4-2-3-8(11)10(9)12/h2-4,7,14H,5-6,13H2,1H3
InChIKeyJTDQRAQUTVHZBR-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.49
Rot. Bonds5

About N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide

N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide (PubChem CID 63251282) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide
PubChem CID63251282
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC NameN-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide
SMILESCC(N)CCNS(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-7(13)5-6-14-17(15,16)9-4-2-3-8(11)10(9)12/h2-4,7,14H,5-6,13H2,1H3
InChIKeyJTDQRAQUTVHZBR-UHFFFAOYSA-N
XLogP1.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-3-aminobutyl]-3-fluoro-2-methylbenzenesulfonamide
CID 99819169
3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502012
N-(3-aminobutyl)-2-methylsulfanylbenzenesulfonamide
CID 120708577
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide
CID 63253709
methyl 2-(3-aminobutylsulfamoyl)-6-fluorobenzoate
CID 119972822
N-(3-amino-3-phenylpropyl)-2-chlorobenzenesulfonamide
CID 80505183
N-(3-aminobutyl)-4-bromo-5-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 120708578
N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119983149
N-(3-aminobutyl)-4-chloro-2-methylbenzenesulfonamide
CID 63253857
N-(3-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63251758
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide (CID 63251282) is N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide is CC(N)CCNS(=O)(=O)c1cccc(Cl)c1F.
What is the InChIKey of N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide?
The InChIKey is JTDQRAQUTVHZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S/c1-7(13)5-6-14-17(15,16)9-4-2-3-8(11)10(9)12/h2-4,7,14H,5-6,13H2,1H3.
What are the key properties of N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide?
N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide has a molecular weight of 280.75 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 63251282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).