N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide

C14H25N3O3S — CID 102704614

IUPACN-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)CCN(C)C)c(OC)c1
InChIInChI=1S/C14H25N3O3S/c1-15-11-12-6-7-14(13(10-12)20-5)21(18,19)17(4)9-8-16(2)3/h6-7,10,15H,8-9,11H2,1-5H3
InChIKeyUTNLFNGLWKRLRY-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.60
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide

N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 102704614) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide
PubChem CID102704614
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)N(C)CCN(C)C)c(OC)c1
InChIInChI=1S/C14H25N3O3S/c1-15-11-12-6-7-14(13(10-12)20-5)21(18,19)17(4)9-8-16(2)3/h6-7,10,15H,8-9,11H2,1-5H3
InChIKeyUTNLFNGLWKRLRY-UHFFFAOYSA-N
XLogP0.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102704420
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 102704372
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide
CID 102704691
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 79187110
2-methoxy-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 102704604
4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide
CID 102704679
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81064533
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide
CID 102704690

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide (CID 102704614) is N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)N(C)CCN(C)C)c(OC)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is UTNLFNGLWKRLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-15-11-12-6-7-14(13(10-12)20-5)21(18,19)17(4)9-8-16(2)3/h6-7,10,15H,8-9,11H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102704614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).