3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate

C12H14Cl2N2O5S — CID 126507183

IUPAC3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate
SMILESCC(=O)OCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O5S/c1-7(17)21-4-2-3-16-12(18)8-5-11(22(15,19)20)10(14)6-9(8)13/h5-6H,2-4H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyZYZYGWWRCWBUMZ-UHFFFAOYSA-N
MW369.23 g/mol
LogP1.32
Rot. Bonds6

About 3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate

3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate (PubChem CID 126507183) has the molecular formula C12H14Cl2N2O5S and a molecular weight of 369.23 g/mol. Its IUPAC name is 3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate.

Molecular Properties

Compound Name3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate
PubChem CID126507183
Molecular FormulaC12H14Cl2N2O5S
Molecular Weight369.23 g/mol
Exact Mass368.00
IUPAC Name3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate
SMILESCC(=O)OCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O5S/c1-7(17)21-4-2-3-16-12(18)8-5-11(22(15,19)20)10(14)6-9(8)13/h5-6H,2-4H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyZYZYGWWRCWBUMZ-UHFFFAOYSA-N
XLogP1.32
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 34852311
2,4-dichloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
CID 12698192
2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 21189414
2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide
CID 60635034
2,4-Dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 60635890
N-benzyl-2,4-dichloro-5-sulfamoylbenzamide
CID 126507182
2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoyl-benzamide
CID 126508709
4-[(2,4-Dichloro-5-sulfamoylbenzoyl)amino]butanoic acid
CID 126508712
Methyl 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoate
CID 126508879
2,4-dichloro-5-(1-pyrrolidinylsulfonyl)-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2941547
2,4-dichloro-5-[(dimethylamino)sulfonyl]-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2953771
N-benzyl-2,4-dichloro-5-[(dimethylamino)sulfonyl]benzamide
CID 2171497

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate?
The IUPAC name of 3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate (CID 126507183) is 3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate.
What is the SMILES notation for 3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate?
The canonical SMILES for 3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate is CC(=O)OCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate?
The InChIKey is ZYZYGWWRCWBUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O5S/c1-7(17)21-4-2-3-16-12(18)8-5-11(22(15,19)20)10(14)6-9(8)13/h5-6H,2-4H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of 3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate?
3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate has a molecular weight of 369.23 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]propyl acetate is sourced from PubChem (CID 126507183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).