N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide

C13H20N2O3S — CID 39384795

IUPACN-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCCN(C)C)c1
InChIInChI=1S/C13H20N2O3S/c1-4-13(16)11-6-5-7-12(10-11)19(17,18)14-8-9-15(2)3/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeyCTYWOFSRCFOVIQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.12
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide

N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide (PubChem CID 39384795) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
PubChem CID39384795
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCCN(C)C)c1
InChIInChI=1S/C13H20N2O3S/c1-4-13(16)11-6-5-7-12(10-11)19(17,18)14-8-9-15(2)3/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeyCTYWOFSRCFOVIQ-UHFFFAOYSA-N
XLogP1.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 119973412
3-[(3-propanoylphenyl)sulfonylamino]propanamide
CID 60873632
N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide
CID 102675948
N-[2-(dimethylamino)ethyl]-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063964
3-propanoyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 103823487
3-[2-(dimethylamino)ethylsulfamoyl]-N-[4-(dimethylamino)phenyl]benzamide
CID 109064040
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
CID 115282992
3-[2-(dimethylamino)ethylsulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 109064018
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-propanoylbenzenesulfonamide
CID 103834766
N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109064025
N-(3-methylbut-2-enyl)-3-propanoylbenzenesulfonamide
CID 103526960

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide (CID 39384795) is N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide?
The InChIKey is CTYWOFSRCFOVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-13(16)11-6-5-7-12(10-11)19(17,18)14-8-9-15(2)3/h5-7,10,14H,4,8-9H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 39384795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).