N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride

C9H15ClN2O2S — CID 119960152

IUPACN-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-8-3-2-4-9(7-8)14(12,13)11-6-5-10;/h2-4,7,11H,5-6,10H2,1H3;1H
InChIKeyLGRBIGRYKONMGO-UHFFFAOYSA-N
MW250.75 g/mol
LogP0.65
Rot. Bonds4

About N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride (PubChem CID 119960152) has the molecular formula C9H15ClN2O2S and a molecular weight of 250.75 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
PubChem CID119960152
Molecular FormulaC9H15ClN2O2S
Molecular Weight250.75 g/mol
Exact Mass250.05
IUPAC NameN-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-8-3-2-4-9(7-8)14(12,13)11-6-5-10;/h2-4,7,11H,5-6,10H2,1H3;1H
InChIKeyLGRBIGRYKONMGO-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-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-(2-aminoethyl)-3-tert-butylbenzenesulfonamide
CID 70646120
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158
N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride
CID 120998864
ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
CID 60643076
N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide
CID 106141735
N-(3-cyanopropyl)-3-methylbenzenesulfonamide
CID 62667392
N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide
CID 155203443
N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3680647
N-[2-(2-bromoethoxy)ethyl]-3-methylbenzenesulfonamide
CID 114295997

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride (CID 119960152) is N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride is Cc1cccc(S(=O)(=O)NCCN)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride?
The InChIKey is LGRBIGRYKONMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.ClH/c1-8-3-2-4-9(7-8)14(12,13)11-6-5-10;/h2-4,7,11H,5-6,10H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-3-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)-3-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).