N-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide

C10H14ClFN2O2S — CID 69442861

IUPACN-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide
SMILESCC(CCN)NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H14ClFN2O2S/c1-7(4-5-13)14-17(15,16)10-3-2-8(12)6-9(10)11/h2-3,6-7,14H,4-5,13H2,1H3
InChIKeyCCQAYMFGOJLBFA-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.49
Rot. Bonds5

About N-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide

N-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide (PubChem CID 69442861) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide
PubChem CID69442861
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC NameN-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide
SMILESCC(CCN)NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H14ClFN2O2S/c1-7(4-5-13)14-17(15,16)10-3-2-8(12)6-9(10)11/h2-3,6-7,14H,4-5,13H2,1H3
InChIKeyCCQAYMFGOJLBFA-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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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide (CID 69442861) is N-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide is CC(CCN)NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide?
The InChIKey is CCQAYMFGOJLBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S/c1-7(4-5-13)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-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide?
N-(4-aminobutan-2-yl)-2-chloro-4-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-(4-aminobutan-2-yl)-2-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 69442861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).