N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide

C13H21FN2O2S — CID 120712550

IUPACN-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1cccc(C)c1F
InChIInChI=1S/C13H21FN2O2S/c1-3-4-7-11(9-15)16-19(17,18)12-8-5-6-10(2)13(12)14/h5-6,8,11,16H,3-4,7,9,15H2,1-2H3
InChIKeyPJAQTGHIZWCZJP-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.93
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide

N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide (PubChem CID 120712550) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide
PubChem CID120712550
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1cccc(C)c1F
InChIInChI=1S/C13H21FN2O2S/c1-3-4-7-11(9-15)16-19(17,18)12-8-5-6-10(2)13(12)14/h5-6,8,11,16H,3-4,7,9,15H2,1-2H3
InChIKeyPJAQTGHIZWCZJP-UHFFFAOYSA-N
XLogP1.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-cyano-3-fluorobenzenesulfonamide
CID 80696719
N-(1-aminohexan-2-yl)-2-methyl-6-nitrobenzenesulfonamide
CID 80696789
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120712551
3-(aminomethyl)-2-methyl-N-octan-4-ylbenzenesulfonamide
CID 106094704
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminohexan-2-yl)-2-fluoro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119993302
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
CID 80698004
N-(1-aminohexan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 80697787
N-(1-aminopentan-2-yl)-2,6-difluorobenzenesulfonamide
CID 65192915
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide (CID 120712550) is N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide is CCCCC(CN)NS(=O)(=O)c1cccc(C)c1F.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide?
The InChIKey is PJAQTGHIZWCZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-3-4-7-11(9-15)16-19(17,18)12-8-5-6-10(2)13(12)14/h5-6,8,11,16H,3-4,7,9,15H2,1-2H3.
What are the key properties of N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide?
N-(1-aminohexan-2-yl)-2-fluoro-3-methylbenzenesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.93, 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-3-methylbenzenesulfonamide is sourced from PubChem (CID 120712550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).