N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide

C14H23BrN2O3S — CID 80697783

IUPACN-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1cc(Br)ccc1OCC
InChIInChI=1S/C14H23BrN2O3S/c1-3-5-6-12(10-16)17-21(18,19)14-9-11(15)7-8-13(14)20-4-2/h7-9,12,17H,3-6,10,16H2,1-2H3
InChIKeyOAJHWMYHWSUOTA-UHFFFAOYSA-N
MW379.32 g/mol
LogP2.64
Rot. Bonds9

About N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide

N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide (PubChem CID 80697783) has the molecular formula C14H23BrN2O3S and a molecular weight of 379.32 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
PubChem CID80697783
Molecular FormulaC14H23BrN2O3S
Molecular Weight379.32 g/mol
Exact Mass378.06
IUPAC NameN-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1cc(Br)ccc1OCC
InChIInChI=1S/C14H23BrN2O3S/c1-3-5-6-12(10-16)17-21(18,19)14-9-11(15)7-8-13(14)20-4-2/h7-9,12,17H,3-6,10,16H2,1-2H3
InChIKeyOAJHWMYHWSUOTA-UHFFFAOYSA-N
XLogP2.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
CID 80698004
5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755202
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120712542
N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
CID 65192509
N-benzhydryl-5-bromo-2-ethoxybenzenesulfonamide
CID 2386375
N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 43596964
N-(1-amino-2,3-dimethylbutan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 115310717
N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120712533
5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
CID 62118600
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 80697849
(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
CID 104934669
5-bromo-2-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 103912575

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide (CID 80697783) is N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide is CCCCC(CN)NS(=O)(=O)c1cc(Br)ccc1OCC.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide?
The InChIKey is OAJHWMYHWSUOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O3S/c1-3-5-6-12(10-16)17-21(18,19)14-9-11(15)7-8-13(14)20-4-2/h7-9,12,17H,3-6,10,16H2,1-2H3.
What are the key properties of N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide?
N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide has a molecular weight of 379.32 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 80697783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).