N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide

C10H14Br2N2O2S — CID 55169700

IUPACN-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
SMILESCC(N)CCNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H14Br2N2O2S/c1-7(13)4-5-14-17(15,16)10-6-8(11)2-3-9(10)12/h2-3,6-7,14H,4-5,13H2,1H3
InChIKeyODCQOICWPQCNMW-UHFFFAOYSA-N
MW386.11 g/mol
LogP2.23
Rot. Bonds5

About N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide

N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide (PubChem CID 55169700) has the molecular formula C10H14Br2N2O2S and a molecular weight of 386.11 g/mol. Its IUPAC name is N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
PubChem CID55169700
Molecular FormulaC10H14Br2N2O2S
Molecular Weight386.11 g/mol
Exact Mass383.91
IUPAC NameN-(3-aminobutyl)-2,5-dibromobenzenesulfonamide
SMILESCC(N)CCNS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H14Br2N2O2S/c1-7(13)4-5-14-17(15,16)10-6-8(11)2-3-9(10)12/h2-3,6-7,14H,4-5,13H2,1H3
InChIKeyODCQOICWPQCNMW-UHFFFAOYSA-N
XLogP2.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(3-bromobutyl)benzenesulfonamide
CID 114297785
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
N-(3-aminobutyl)-5-bromo-2-nitrobenzenesulfonamide;hydrochloride
CID 119972778
2,5-dibromo-N-(3-chloropentyl)benzenesulfonamide
CID 113498030
2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573
2,5-dibromo-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858962
N-(3-aminobutyl)-4-bromo-2-nitrobenzenesulfonamide;hydrochloride
CID 119972675
N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
CID 63254005
2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide
CID 114295168
ethyl 3-[(2,5-dibromophenyl)sulfonylamino]propanoate
CID 60643187
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824924
2,5-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824923

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide (CID 55169700) is N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide is CC(N)CCNS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide?
The InChIKey is ODCQOICWPQCNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O2S/c1-7(13)4-5-14-17(15,16)10-6-8(11)2-3-9(10)12/h2-3,6-7,14H,4-5,13H2,1H3.
What are the key properties of N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide?
N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide has a molecular weight of 386.11 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 55169700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).