2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide

C12H16Cl2N2O4S — CID 155512763

IUPAC2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide
SMILESCOCCCNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O4S/c1-20-6-2-5-15-21(18,19)11-7-9(3-4-10(11)14)16-12(17)8-13/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyKPHIHCHMDQULOR-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.83
Rot. Bonds8

About 2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide

2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide (PubChem CID 155512763) has the molecular formula C12H16Cl2N2O4S and a molecular weight of 355.24 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide
PubChem CID155512763
Molecular FormulaC12H16Cl2N2O4S
Molecular Weight355.24 g/mol
Exact Mass354.02
IUPAC Name2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide
SMILESCOCCCNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O4S/c1-20-6-2-5-15-21(18,19)11-7-9(3-4-10(11)14)16-12(17)8-13/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyKPHIHCHMDQULOR-UHFFFAOYSA-N
XLogP1.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide (CID 155512763) is 2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide is COCCCNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide?
The InChIKey is KPHIHCHMDQULOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O4S/c1-20-6-2-5-15-21(18,19)11-7-9(3-4-10(11)14)16-12(17)8-13/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide?
2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide has a molecular weight of 355.24 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 155512763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).