N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride

C9H13Br2ClN2O2S — CID 119960307

IUPACN-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(Br)c(S(=O)(=O)NCCN)cc1Br.Cl
InChIInChI=1S/C9H12Br2N2O2S.ClH/c1-6-4-8(11)9(5-7(6)10)16(14,15)13-3-2-12;/h4-5,13H,2-3,12H2,1H3;1H
InChIKeyDRLVGGGLULRKLL-UHFFFAOYSA-N
MW408.54 g/mol
LogP2.18
Rot. Bonds4

About N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 119960307) has the molecular formula C9H13Br2ClN2O2S and a molecular weight of 408.54 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
PubChem CID119960307
Molecular FormulaC9H13Br2ClN2O2S
Molecular Weight408.54 g/mol
Exact Mass405.88
IUPAC NameN-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(Br)c(S(=O)(=O)NCCN)cc1Br.Cl
InChIInChI=1S/C9H12Br2N2O2S.ClH/c1-6-4-8(11)9(5-7(6)10)16(14,15)13-3-2-12;/h4-5,13H,2-3,12H2,1H3;1H
InChIKeyDRLVGGGLULRKLL-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(6-chlorohexyl)-4-methylbenzenesulfonamide
CID 107849088
2,5-dibromo-N-[2-(cyclopropylamino)ethyl]-4-methylbenzenesulfonamide
CID 81326640
N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 119960089
N-(4-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 120583356
N-(4-aminobutyl)-5-bromo-4-fluoro-2-methylbenzenesulfonamide
CID 120713373
N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120706199
2,5-dibromo-N-(5-bromo-4-methylpentyl)-4-methylbenzenesulfonamide
CID 106158589
2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 83030925
2,5-dibromo-N-(2,3-dimethylbutyl)-4-methylbenzenesulfonamide
CID 81424081
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
2,5-dibromo-4-methyl-N-(2-prop-2-enylsulfanylethyl)benzenesulfonamide
CID 114188227
N-(2-aminoethyl)-2-bromo-5-chlorobenzenesulfonamide
CID 120706161

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride (CID 119960307) is N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride is Cc1cc(Br)c(S(=O)(=O)NCCN)cc1Br.Cl.
What is the InChIKey of N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is DRLVGGGLULRKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2O2S.ClH/c1-6-4-8(11)9(5-7(6)10)16(14,15)13-3-2-12;/h4-5,13H,2-3,12H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 408.54 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).