3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid

C10H10Cl2N2O5S — CID 43545481

IUPAC3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1Cl)C(N)=O
InChIInChI=1S/C10H10Cl2N2O5S/c1-4(9(13)15)14-20(18,19)7-3-5(11)2-6(8(7)12)10(16)17/h2-4,14H,1H3,(H2,13,15)(H,16,17)
InChIKeyHURLBMFAHDHGGI-UHFFFAOYSA-N
MW341.17 g/mol
LogP0.84
Rot. Bonds5

About 3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid

3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid (PubChem CID 43545481) has the molecular formula C10H10Cl2N2O5S and a molecular weight of 341.17 g/mol. Its IUPAC name is 3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid.

Molecular Properties

Compound Name3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid
PubChem CID43545481
Molecular FormulaC10H10Cl2N2O5S
Molecular Weight341.17 g/mol
Exact Mass339.97
IUPAC Name3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1Cl)C(N)=O
InChIInChI=1S/C10H10Cl2N2O5S/c1-4(9(13)15)14-20(18,19)7-3-5(11)2-6(8(7)12)10(16)17/h2-4,14H,1H3,(H2,13,15)(H,16,17)
InChIKeyHURLBMFAHDHGGI-UHFFFAOYSA-N
XLogP0.84
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-3-(3,3-dimethylbutan-2-ylsulfamoyl)benzoic acid
CID 104827579
2,5-dichloro-3-(1-methylsulfanylpropan-2-ylsulfamoyl)benzoic acid
CID 104655063
3-(1-amino-1-oxopropan-2-yl)sulfonyl-2,5-dichlorobenzoic acid
CID 43514550
5-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid
CID 43545490
2,5-dichloro-3-(hexan-3-ylsulfamoyl)benzoic acid
CID 62117802
2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
CID 75841470
3-(1-amino-1-oxobutan-2-yl)sulfonyl-2,5-dichlorobenzoic acid
CID 62900058
2,5-dichloro-3-(4-hydroxypentylsulfamoyl)benzoic acid
CID 106120585
2,5-dichloro-3-(ethoxysulfamoyl)benzoic acid
CID 64973993
3-(butylsulfamoyl)-2,5-dichlorobenzoic acid
CID 43514496
2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 122068063
3-(1-amino-1-oxopropan-2-yl)sulfonyl-5-chloro-2-methylbenzoic acid
CID 82890696

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid?
The IUPAC name of 3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid (CID 43545481) is 3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid.
What is the SMILES notation for 3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid?
The canonical SMILES for 3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid is CC(NS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1Cl)C(N)=O.
What is the InChIKey of 3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid?
The InChIKey is HURLBMFAHDHGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O5S/c1-4(9(13)15)14-20(18,19)7-3-5(11)2-6(8(7)12)10(16)17/h2-4,14H,1H3,(H2,13,15)(H,16,17).
What are the key properties of 3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid?
3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid has a molecular weight of 341.17 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,5-dichlorobenzoic acid is sourced from PubChem (CID 43545481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).