N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide

C12H18Br2N2O2S — CID 80698004

IUPACN-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H18Br2N2O2S/c1-2-3-4-10(8-15)16-19(17,18)12-6-5-9(13)7-11(12)14/h5-7,10,16H,2-4,8,15H2,1H3
InChIKeyPPGXGSJWGRCPDS-UHFFFAOYSA-N
MW414.16 g/mol
LogP3.01
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide

N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide (PubChem CID 80698004) has the molecular formula C12H18Br2N2O2S and a molecular weight of 414.16 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
PubChem CID80698004
Molecular FormulaC12H18Br2N2O2S
Molecular Weight414.16 g/mol
Exact Mass411.95
IUPAC NameN-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H18Br2N2O2S/c1-2-3-4-10(8-15)16-19(17,18)12-6-5-9(13)7-11(12)14/h5-7,10,16H,2-4,8,15H2,1H3
InChIKeyPPGXGSJWGRCPDS-UHFFFAOYSA-N
XLogP3.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.16
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
CID 65192509
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120712542
N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 80697783
N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 65193170
N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120712533
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-[(2S)-1-aminohexan-2-yl]-3-bromothiophene-2-sulfonamide
CID 97225503
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 65193946
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 80697849
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
2-bromo-N-octan-4-ylbenzenesulfonamide
CID 106025735

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide (CID 80698004) is N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide is CCCCC(CN)NS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide?
The InChIKey is PPGXGSJWGRCPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O2S/c1-2-3-4-10(8-15)16-19(17,18)12-6-5-9(13)7-11(12)14/h5-7,10,16H,2-4,8,15H2,1H3.
What are the key properties of N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide?
N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide has a molecular weight of 414.16 g/mol, XLogP of 3.01, 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)-2,4-dibromobenzenesulfonamide is sourced from PubChem (CID 80698004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).