N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide

C13H21N3O3S — CID 68598587

IUPACN-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide
SMILESCCN(CC)C(C)NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-4-16(5-2)10(3)15-13(17)11-6-8-12(9-7-11)20(14,18)19/h6-10H,4-5H2,1-3H3,(H,15,17)(H2,14,18,19)
InChIKeyYAFNEAKFRLLFJY-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.75
Rot. Bonds6

About N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide

N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide (PubChem CID 68598587) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide
PubChem CID68598587
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide
SMILESCCN(CC)C(C)NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-4-16(5-2)10(3)15-13(17)11-6-8-12(9-7-11)20(14,18)19/h6-10H,4-5H2,1-3H3,(H,15,17)(H2,14,18,19)
InChIKeyYAFNEAKFRLLFJY-UHFFFAOYSA-N
XLogP0.75
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-sulfamoylbenzamide
CID 10242881
2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate
CID 25061352
N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
CID 24636412
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264
N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide
CID 21130775
6-chloro-N-[1-(diethylamino)ethyl]pyridine-3-carboxamide;hydrochloride
CID 88751278
4-chloro-N-[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]benzamide
CID 3915071
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
CID 42910401
4-propanoylbenzenesulfonamide
CID 70209431
(2S)-3-methyl-2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]butanoic acid
CID 73353110
N-methylethanamine;N-propyl-4-sulfamoylbenzamide
CID 68599383

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide (CID 68598587) is N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide is CCN(CC)C(C)NC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide?
The InChIKey is YAFNEAKFRLLFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-16(5-2)10(3)15-13(17)11-6-8-12(9-7-11)20(14,18)19/h6-10H,4-5H2,1-3H3,(H,15,17)(H2,14,18,19).
What are the key properties of N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide?
N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide has a molecular weight of 299.40 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)ethyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 68598587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).