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

C14H20Cl2N2O3S — CID 3354024

IUPAC2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)C(Cl)Cl)cc1
InChIInChI=1S/C14H20Cl2N2O3S/c1-2-3-4-5-10-17-22(20,21)12-8-6-11(7-9-12)18-14(19)13(15)16/h6-9,13,17H,2-5,10H2,1H3,(H,18,19)
InChIKeyYBJUKZYUBQQZEI-UHFFFAOYSA-N
MW367.30 g/mol
LogP3.29
Rot. Bonds9

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

2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide (PubChem CID 3354024) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
PubChem CID3354024
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC Name2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)C(Cl)Cl)cc1
InChIInChI=1S/C14H20Cl2N2O3S/c1-2-3-4-5-10-17-22(20,21)12-8-6-11(7-9-12)18-14(19)13(15)16/h6-9,13,17H,2-5,10H2,1H3,(H,18,19)
InChIKeyYBJUKZYUBQQZEI-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 53.29
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-(hexylsulfamoyl)phenyl]acetamide
CID 4105692
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
N-[4-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide
CID 5067707
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
N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide
CID 2947116
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
N-tridecylbenzenesulfonamide
CID 3514704

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide (CID 3354024) is 2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide is CCCCCCNS(=O)(=O)c1ccc(NC(=O)C(Cl)Cl)cc1.
What is the InChIKey of 2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide?
The InChIKey is YBJUKZYUBQQZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-2-3-4-5-10-17-22(20,21)12-8-6-11(7-9-12)18-14(19)13(15)16/h6-9,13,17H,2-5,10H2,1H3,(H,18,19).
What are the key properties of 2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide?
2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide has a molecular weight of 367.30 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3354024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).