N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride

C13H24ClN3O2S — CID 67864245

IUPACN-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride
SMILESCCc1cc(N(CC)CC)cc(NS(C)(=O)=O)c1N.Cl
InChIInChI=1S/C13H23N3O2S.ClH/c1-5-10-8-11(16(6-2)7-3)9-12(13(10)14)15-19(4,17)18;/h8-9,15H,5-7,14H2,1-4H3;1H
InChIKeyOOVDJCUDQFYVTD-UHFFFAOYSA-N
MW321.87 g/mol
LogP2.47
Rot. Bonds6

About N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride

N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride (PubChem CID 67864245) has the molecular formula C13H24ClN3O2S and a molecular weight of 321.87 g/mol. Its IUPAC name is N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride
PubChem CID67864245
Molecular FormulaC13H24ClN3O2S
Molecular Weight321.87 g/mol
Exact Mass321.13
IUPAC NameN-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride
SMILESCCc1cc(N(CC)CC)cc(NS(C)(=O)=O)c1N.Cl
InChIInChI=1S/C13H23N3O2S.ClH/c1-5-10-8-11(16(6-2)7-3)9-12(13(10)14)15-19(4,17)18;/h8-9,15H,5-7,14H2,1-4H3;1H
InChIKeyOOVDJCUDQFYVTD-UHFFFAOYSA-N
XLogP2.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride (CID 67864245) is N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride is CCc1cc(N(CC)CC)cc(NS(C)(=O)=O)c1N.Cl.
What is the InChIKey of N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride?
The InChIKey is OOVDJCUDQFYVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S.ClH/c1-5-10-8-11(16(6-2)7-3)9-12(13(10)14)15-19(4,17)18;/h8-9,15H,5-7,14H2,1-4H3;1H.
What are the key properties of N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride?
N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride has a molecular weight of 321.87 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(diethylamino)-3-ethylphenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 67864245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).