N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide

C13H19F3N2O2S — CID 80697787

IUPACN-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O2S/c1-2-3-6-11(9-17)18-21(19,20)12-7-4-5-10(8-12)13(14,15)16/h4-5,7-8,11,18H,2-3,6,9,17H2,1H3
InChIKeyXKWRBNXWQAVPFC-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.50
Rot. Bonds7

About N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 80697787) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID80697787
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC NameN-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O2S/c1-2-3-6-11(9-17)18-21(19,20)12-7-4-5-10(8-12)13(14,15)16/h4-5,7-8,11,18H,2-3,6,9,17H2,1H3
InChIKeyXKWRBNXWQAVPFC-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119993302
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
(2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid
CID 104935432
3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide
CID 65193230
N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
CID 97225499
N-dodecyl-3-(trifluoromethyl)benzenesulfonamide
CID 23358572
N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 80697787) is N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide is CCCCC(CN)NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XKWRBNXWQAVPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-2-3-6-11(9-17)18-21(19,20)12-7-4-5-10(8-12)13(14,15)16/h4-5,7-8,11,18H,2-3,6,9,17H2,1H3.
What are the key properties of N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 324.37 g/mol, XLogP of 2.50, 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)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 80697787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).