N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide

C14H24N2O4S — CID 106001370

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(CO)cc1S(=O)(=O)NCCOCCN(C)C
InChIInChI=1S/C14H24N2O4S/c1-12-4-5-13(11-17)10-14(12)21(18,19)15-6-8-20-9-7-16(2)3/h4-5,10,15,17H,6-9,11H2,1-3H3
InChIKeyXYNCGQDJUYKVPJ-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.34
Rot. Bonds9

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide

N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide (PubChem CID 106001370) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide
PubChem CID106001370
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(CO)cc1S(=O)(=O)NCCOCCN(C)C
InChIInChI=1S/C14H24N2O4S/c1-12-4-5-13(11-17)10-14(12)21(18,19)15-6-8-20-9-7-16(2)3/h4-5,10,15,17H,6-9,11H2,1-3H3
InChIKeyXYNCGQDJUYKVPJ-UHFFFAOYSA-N
XLogP0.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-cyano-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-methylbenzenesulfonamide
CID 103080918
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 104538372
5-(hydroxymethyl)-2-methyl-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106002448
N-[4-(dimethylamino)butyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106051733
4-(cyanomethyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 103080920
(3-ethylsulfonyl-4-methylphenyl)methanol
CID 112594371
[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol
CID 114127511
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032651
2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106044181
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106091614
5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide
CID 114625595

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide (CID 106001370) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide is Cc1ccc(CO)cc1S(=O)(=O)NCCOCCN(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide?
The InChIKey is XYNCGQDJUYKVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-12-4-5-13(11-17)10-14(12)21(18,19)15-6-8-20-9-7-16(2)3/h4-5,10,15,17H,6-9,11H2,1-3H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 0.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106001370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).