N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide

C9H12ClFN2O2S — CID 63731769

IUPACN-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
SMILESCC(CN)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C9H12ClFN2O2S/c1-6(5-12)13-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3
InChIKeyJRNDUEOFKIVGAN-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.10
Rot. Bonds4

About N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide

N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide (PubChem CID 63731769) has the molecular formula C9H12ClFN2O2S and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
PubChem CID63731769
Molecular FormulaC9H12ClFN2O2S
Molecular Weight266.73 g/mol
Exact Mass266.03
IUPAC NameN-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
SMILESCC(CN)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C9H12ClFN2O2S/c1-6(5-12)13-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3
InChIKeyJRNDUEOFKIVGAN-UHFFFAOYSA-N
XLogP1.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120713181
5-[(4-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid
CID 82845347
N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120712872
4-chloro-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79255603
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
4-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 106083339
N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide
CID 47358633

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide (CID 63731769) is N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide is CC(CN)NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide?
The InChIKey is JRNDUEOFKIVGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O2S/c1-6(5-12)13-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,13H,5,12H2,1H3.
What are the key properties of N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide?
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide has a molecular weight of 266.73 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 63731769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).