5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide

C10H13Cl2N3O3S — CID 107184918

IUPAC5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCCCS(N)(=O)=O)c1
InChIInChI=1S/C10H13Cl2N3O3S/c11-8-5-6(13)4-7(9(8)12)10(16)15-2-1-3-19(14,17)18/h4-5H,1-3,13H2,(H,15,16)(H2,14,17,18)
InChIKeyIBYKDWJEKQQIJH-UHFFFAOYSA-N
MW326.21 g/mol
LogP0.98
Rot. Bonds5

About 5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide

5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide (PubChem CID 107184918) has the molecular formula C10H13Cl2N3O3S and a molecular weight of 326.21 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide
PubChem CID107184918
Molecular FormulaC10H13Cl2N3O3S
Molecular Weight326.21 g/mol
Exact Mass325.01
IUPAC Name5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCCCS(N)(=O)=O)c1
InChIInChI=1S/C10H13Cl2N3O3S/c11-8-5-6(13)4-7(9(8)12)10(16)15-2-1-3-19(14,17)18/h4-5H,1-3,13H2,(H,15,16)(H2,14,17,18)
InChIKeyIBYKDWJEKQQIJH-UHFFFAOYSA-N
XLogP0.98
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692
5-amino-2,3-dichloro-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 107185960
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 107184920
4-chloro-2-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 47337136
5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 107185821
5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 107184833
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
2-amino-4-fluoro-N-(3-sulfamoylpropyl)benzamide
CID 63110426
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931
5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 114092848

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide (CID 107184918) is 5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCCCS(N)(=O)=O)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide?
The InChIKey is IBYKDWJEKQQIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O3S/c11-8-5-6(13)4-7(9(8)12)10(16)15-2-1-3-19(14,17)18/h4-5H,1-3,13H2,(H,15,16)(H2,14,17,18).
What are the key properties of 5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide?
5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide has a molecular weight of 326.21 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(3-sulfamoylpropyl)benzamide is sourced from PubChem (CID 107184918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).