N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride

C12H21ClN2O3S — CID 119973818

IUPACN-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(OC)c(C)c1.Cl
InChIInChI=1S/C12H20N2O3S.ClH/c1-4-13-7-8-14-18(15,16)11-5-6-12(17-3)10(2)9-11;/h5-6,9,13-14H,4,7-8H2,1-3H3;1H
InChIKeyCXUTWKPLLXRTID-UHFFFAOYSA-N
MW308.83 g/mol
LogP1.31
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride

N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride (PubChem CID 119973818) has the molecular formula C12H21ClN2O3S and a molecular weight of 308.83 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
PubChem CID119973818
Molecular FormulaC12H21ClN2O3S
Molecular Weight308.83 g/mol
Exact Mass308.10
IUPAC NameN-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
SMILESCCNCCNS(=O)(=O)c1ccc(OC)c(C)c1.Cl
InChIInChI=1S/C12H20N2O3S.ClH/c1-4-13-7-8-14-18(15,16)11-5-6-12(17-3)10(2)9-11;/h5-6,9,13-14H,4,7-8H2,1-3H3;1H
InChIKeyCXUTWKPLLXRTID-UHFFFAOYSA-N
XLogP1.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 119973985
N-[2-(ethylamino)ethyl]-3-methoxy-4-nitrobenzenesulfonamide
CID 119973555
N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine
CID 117036349
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 122324527
N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115613367
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101166
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407
2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456556

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride (CID 119973818) is N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride is CCNCCNS(=O)(=O)c1ccc(OC)c(C)c1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride?
The InChIKey is CXUTWKPLLXRTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S.ClH/c1-4-13-7-8-14-18(15,16)11-5-6-12(17-3)10(2)9-11;/h5-6,9,13-14H,4,7-8H2,1-3H3;1H.
What are the key properties of N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride?
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride has a molecular weight of 308.83 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119973818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).