N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride

C9H15ClN2O2S — CID 42943458

IUPACN-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCN)cc1.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-8-2-4-9(5-3-8)14(12,13)11-7-6-10;/h2-5,11H,6-7,10H2,1H3;1H
InChIKeyJTBBYHZLENSNRJ-UHFFFAOYSA-N
MW250.75 g/mol
LogP0.65
Rot. Bonds4

About N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 42943458) has the molecular formula C9H15ClN2O2S and a molecular weight of 250.75 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
PubChem CID42943458
Molecular FormulaC9H15ClN2O2S
Molecular Weight250.75 g/mol
Exact Mass250.05
IUPAC NameN-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCN)cc1.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-8-2-4-9(5-3-8)14(12,13)11-7-6-10;/h2-5,11H,6-7,10H2,1H3;1H
InChIKeyJTBBYHZLENSNRJ-UHFFFAOYSA-N
XLogP0.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
disodium;N-[2-(2-aminoethylamino)ethyl]-4-methylbenzenesulfonamide;hydride
CID 174270268
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-[2-[2-aminoethyl-[2-[bis[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide
CID 88938847
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride (CID 42943458) is N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCCN)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is JTBBYHZLENSNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.ClH/c1-8-2-4-9(5-3-8)14(12,13)11-7-6-10;/h2-5,11H,6-7,10H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 250.75 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 42943458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).