2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide

C11H13Cl3N2O3S — CID 17320825

IUPAC2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C11H13Cl3N2O3S/c1-2-7-15-20(18,19)9-5-3-8(4-6-9)16-10(17)11(12,13)14/h3-6,15H,2,7H2,1H3,(H,16,17)
InChIKeyUJBGGPYKOVRMCT-UHFFFAOYSA-N
MW359.66 g/mol
LogP2.68
Rot. Bonds5

About 2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide

2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide (PubChem CID 17320825) has the molecular formula C11H13Cl3N2O3S and a molecular weight of 359.66 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
PubChem CID17320825
Molecular FormulaC11H13Cl3N2O3S
Molecular Weight359.66 g/mol
Exact Mass357.97
IUPAC Name2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C11H13Cl3N2O3S/c1-2-7-15-20(18,19)9-5-3-8(4-6-9)16-10(17)11(12,13)14/h3-6,15H,2,7H2,1H3,(H,16,17)
InChIKeyUJBGGPYKOVRMCT-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.66
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4105692
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
N-propyl-4-(1,2,2-tricyanoethenylamino)benzenesulfonamide
CID 168607187
4-ethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17108469
cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 28846768
2,5-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17320181
N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide
CID 120715921
2,6-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17146819
N-[4-(propylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2987866
2,4-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4778992

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide (CID 17320825) is 2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide is CCCNS(=O)(=O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide?
The InChIKey is UJBGGPYKOVRMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2O3S/c1-2-7-15-20(18,19)9-5-3-8(4-6-9)16-10(17)11(12,13)14/h3-6,15H,2,7H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide?
2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide has a molecular weight of 359.66 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17320825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).