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

C11H16Br2N2O2S — CID 65192509

IUPACN-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-2-3-9(7-14)15-18(16,17)11-5-4-8(12)6-10(11)13/h4-6,9,15H,2-3,7,14H2,1H3
InChIKeyYWMIOHSPOUGEHU-UHFFFAOYSA-N
MW400.14 g/mol
LogP2.62
Rot. Bonds6

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

N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide (PubChem CID 65192509) has the molecular formula C11H16Br2N2O2S and a molecular weight of 400.14 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
PubChem CID65192509
Molecular FormulaC11H16Br2N2O2S
Molecular Weight400.14 g/mol
Exact Mass397.93
IUPAC NameN-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
SMILESCCCC(CN)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-2-3-9(7-14)15-18(16,17)11-5-4-8(12)6-10(11)13/h4-6,9,15H,2-3,7,14H2,1H3
InChIKeyYWMIOHSPOUGEHU-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.14
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
CID 80698004
N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 65193170
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120712542
N-(1-aminobutan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 65193946
N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 80697783
3-N-(1-aminopentan-2-yl)benzene-1,3-disulfonamide
CID 65193230
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120712533
N-(1-amino-4-methylpentan-2-yl)-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119983138
N-(1-aminopentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 65193019
2-bromo-N-octan-4-ylbenzenesulfonamide
CID 106025735
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119983067

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide?
The IUPAC name of N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide (CID 65192509) is N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide is CCCC(CN)NS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide?
The InChIKey is YWMIOHSPOUGEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S/c1-2-3-9(7-14)15-18(16,17)11-5-4-8(12)6-10(11)13/h4-6,9,15H,2-3,7,14H2,1H3.
What are the key properties of N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide?
N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide has a molecular weight of 400.14 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide is sourced from PubChem (CID 65192509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).