N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

C13H19ClF4N2O2S — CID 119993302

IUPACN-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1cc(C(F)(F)F)ccc1F.Cl
InChIInChI=1S/C13H18F4N2O2S.ClH/c1-2-3-4-10(8-18)19-22(20,21)12-7-9(13(15,16)17)5-6-11(12)14;/h5-7,10,19H,2-4,8,18H2,1H3;1H
InChIKeyFJWRENAIJWZLDH-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.06
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119993302) has the molecular formula C13H19ClF4N2O2S and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119993302
Molecular FormulaC13H19ClF4N2O2S
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC NameN-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1cc(C(F)(F)F)ccc1F.Cl
InChIInChI=1S/C13H18F4N2O2S.ClH/c1-2-3-4-10(8-18)19-22(20,21)12-7-9(13(15,16)17)5-6-11(12)14;/h5-7,10,19H,2-4,8,18H2,1H3;1H
InChIKeyFJWRENAIJWZLDH-UHFFFAOYSA-N
XLogP3.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 80697787
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(3-aminopropyl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 91659841
N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 120712550
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 80697849
N-(1-aminohexan-2-yl)-2-cyano-3-fluorobenzenesulfonamide
CID 80696719
N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
CID 80698004
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120712542
N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120712551

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119993302) is N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1cc(C(F)(F)F)ccc1F.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is FJWRENAIJWZLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N2O2S.ClH/c1-2-3-4-10(8-18)19-22(20,21)12-7-9(13(15,16)17)5-6-11(12)14;/h5-7,10,19H,2-4,8,18H2,1H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 378.82 g/mol, XLogP of 3.06, 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-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119993302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).