N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride

C12H19Cl2FN2O2S — CID 120712551

IUPACN-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1c(F)cccc1Cl.Cl
InChIInChI=1S/C12H18ClFN2O2S.ClH/c1-2-3-5-9(8-15)16-19(17,18)12-10(13)6-4-7-11(12)14;/h4,6-7,9,16H,2-3,5,8,15H2,1H3;1H
InChIKeyYAXWVGGGPOBNLO-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.70
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride (PubChem CID 120712551) has the molecular formula C12H19Cl2FN2O2S and a molecular weight of 345.27 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
PubChem CID120712551
Molecular FormulaC12H19Cl2FN2O2S
Molecular Weight345.27 g/mol
Exact Mass344.05
IUPAC NameN-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1c(F)cccc1Cl.Cl
InChIInChI=1S/C12H18ClFN2O2S.ClH/c1-2-3-5-9(8-15)16-19(17,18)12-10(13)6-4-7-11(12)14;/h4,6-7,9,16H,2-3,5,8,15H2,1H3;1H
InChIKeyYAXWVGGGPOBNLO-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide
CID 65192915
N-(1-aminohexan-2-yl)-2-cyano-3-fluorobenzenesulfonamide
CID 80696719
N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 120712550
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119993347
N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119993302
N-(1-aminohexan-2-yl)-2-methyl-6-nitrobenzenesulfonamide
CID 80696789
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 80697787
N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 120875562

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride (CID 120712551) is N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1c(F)cccc1Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride?
The InChIKey is YAXWVGGGPOBNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O2S.ClH/c1-2-3-5-9(8-15)16-19(17,18)12-10(13)6-4-7-11(12)14;/h4,6-7,9,16H,2-3,5,8,15H2,1H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120712551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).