3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C15H17N3O3S — CID 6420184

IUPAC3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H17N3O3S/c16-13-3-1-2-12(10-13)15(19)18-9-8-11-4-6-14(7-5-11)22(17,20)21/h1-7,10H,8-9,16H2,(H,18,19)(H2,17,20,21)
InChIKeyZNDFIKZUTSKOQZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.89
Rot. Bonds5

About 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 6420184) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID6420184
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H17N3O3S/c16-13-3-1-2-12(10-13)15(19)18-9-8-11-4-6-14(7-5-11)22(17,20)21/h1-7,10H,8-9,16H2,(H,18,19)(H2,17,20,21)
InChIKeyZNDFIKZUTSKOQZ-UHFFFAOYSA-N
XLogP0.89
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1308646
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 46520228
3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 74249008
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55771554
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110310749
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 6420184) is 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is Nc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is ZNDFIKZUTSKOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c16-13-3-1-2-12(10-13)15(19)18-9-8-11-4-6-14(7-5-11)22(17,20)21/h1-7,10H,8-9,16H2,(H,18,19)(H2,17,20,21).
What are the key properties of 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 319.39 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 6420184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).