N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride

C10H16BrClN2O2S — CID 120706697

IUPACN-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(Br)ccc1S(=O)(=O)NCCCN.Cl
InChIInChI=1S/C10H15BrN2O2S.ClH/c1-8-7-9(11)3-4-10(8)16(14,15)13-6-2-5-12;/h3-4,7,13H,2,5-6,12H2,1H3;1H
InChIKeyVDBYHXPPVCUEOB-UHFFFAOYSA-N
MW343.67 g/mol
LogP1.81
Rot. Bonds5

About N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride

N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 120706697) has the molecular formula C10H16BrClN2O2S and a molecular weight of 343.67 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride
PubChem CID120706697
Molecular FormulaC10H16BrClN2O2S
Molecular Weight343.67 g/mol
Exact Mass341.98
IUPAC NameN-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(Br)ccc1S(=O)(=O)NCCCN.Cl
InChIInChI=1S/C10H15BrN2O2S.ClH/c1-8-7-9(11)3-4-10(8)16(14,15)13-6-2-5-12;/h3-4,7,13H,2,5-6,12H2,1H3;1H
InChIKeyVDBYHXPPVCUEOB-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.67
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290
4-bromo-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 120706365
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
N-(4-aminobutyl)-5-bromo-4-fluoro-2-methylbenzenesulfonamide
CID 120713373
N-(4-aminobutyl)-5-bromo-2-nitrobenzenesulfonamide;hydrochloride
CID 120583812
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
N-(4-aminobutyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120583575
4-bromo-2-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120707438
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
CID 119960307
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride (CID 120706697) is N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride is Cc1cc(Br)ccc1S(=O)(=O)NCCCN.Cl.
What is the InChIKey of N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is VDBYHXPPVCUEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S.ClH/c1-8-7-9(11)3-4-10(8)16(14,15)13-6-2-5-12;/h3-4,7,13H,2,5-6,12H2,1H3;1H.
What are the key properties of N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 343.67 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-bromo-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120706697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).