5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide

C11H14Cl2N2O3S — CID 43700521

IUPAC5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC(=O)CCCCCl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c12-6-2-1-3-11(16)15-10-7-8(19(14,17)18)4-5-9(10)13/h4-5,7H,1-3,6H2,(H,15,16)(H2,14,17,18)
InChIKeyPPJVTMJZUPKJGH-UHFFFAOYSA-N
MW325.22 g/mol
LogP2.34
Rot. Bonds6

About 5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide

5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide (PubChem CID 43700521) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide
PubChem CID43700521
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC Name5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC(=O)CCCCCl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c12-6-2-1-3-11(16)15-10-7-8(19(14,17)18)4-5-9(10)13/h4-5,7H,1-3,6H2,(H,15,16)(H2,14,17,18)
InChIKeyPPJVTMJZUPKJGH-UHFFFAOYSA-N
XLogP2.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-sulfamoylphenyl)propanamide
CID 61130694
N-(2-chloro-5-sulfamoylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852732
N-(2-chloro-4-sulfamoylphenyl)pentanamide
CID 43134096
2-amino-N-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60849966
3-amino-N-(2-chloro-5-sulfamoylphenyl)butanamide
CID 54924131
2-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569457
N-(2-chloro-5-sulfamoylphenyl)-2-ethoxyacetamide
CID 61130321
N-(2-chloro-5-sulfamoylphenyl)-3-(triazol-1-yl)propanamide
CID 61128800
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625
N-(2-chloro-5-sulfamoylphenyl)-3-methoxy-3-methylbutanamide
CID 103022178
N-(2-chloro-5-sulfamoylphenyl)-2-cyclohexylacetamide
CID 61130512
N-(2-chloro-4-sulfamoylphenyl)-3-sulfanylpropanamide
CID 23645367

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide (CID 43700521) is 5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide is NS(=O)(=O)c1ccc(Cl)c(NC(=O)CCCCCl)c1.
What is the InChIKey of 5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide?
The InChIKey is PPJVTMJZUPKJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c12-6-2-1-3-11(16)15-10-7-8(19(14,17)18)4-5-9(10)13/h4-5,7H,1-3,6H2,(H,15,16)(H2,14,17,18).
What are the key properties of 5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide?
5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide has a molecular weight of 325.22 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-5-sulfamoylphenyl)pentanamide is sourced from PubChem (CID 43700521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).