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

C14H19Cl3N2O3S — CID 4105692

IUPAC2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C14H19Cl3N2O3S/c1-2-3-4-5-10-18-23(21,22)12-8-6-11(7-9-12)19-13(20)14(15,16)17/h6-9,18H,2-5,10H2,1H3,(H,19,20)
InChIKeyTULSPCXYWFMCRZ-UHFFFAOYSA-N
MW401.74 g/mol
LogP3.85
Rot. Bonds8

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

2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide (PubChem CID 4105692) has the molecular formula C14H19Cl3N2O3S and a molecular weight of 401.74 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
PubChem CID4105692
Molecular FormulaC14H19Cl3N2O3S
Molecular Weight401.74 g/mol
Exact Mass400.02
IUPAC Name2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C14H19Cl3N2O3S/c1-2-3-4-5-10-18-23(21,22)12-8-6-11(7-9-12)19-13(20)14(15,16)17/h6-9,18H,2-5,10H2,1H3,(H,19,20)
InChIKeyTULSPCXYWFMCRZ-UHFFFAOYSA-N
XLogP3.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.74
LogP ≤ 53.85
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

2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17320825
2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 3354024
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
CID 107849118
3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide
CID 3331699
N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide
CID 4251063
4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
CID 82165572
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
N-tridecylbenzenesulfonamide
CID 3514704
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide (CID 4105692) is 2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide is CCCCCCNS(=O)(=O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide?
The InChIKey is TULSPCXYWFMCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl3N2O3S/c1-2-3-4-5-10-18-23(21,22)12-8-6-11(7-9-12)19-13(20)14(15,16)17/h6-9,18H,2-5,10H2,1H3,(H,19,20).
What are the key properties of 2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide?
2,2,2-trichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide has a molecular weight of 401.74 g/mol, XLogP of 3.85, 8 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-(hexylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4105692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).