2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide

C14H21ClN2O3S — CID 70286579

IUPAC2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide
SMILESCCCNS(=O)(=O)C(C)(C)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-4-9-16-21(19,20)14(2,3)11-5-7-12(8-6-11)17-13(18)10-15/h5-8,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyVCYFOPWFZBEYMG-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.43
Rot. Bonds7

About 2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide

2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide (PubChem CID 70286579) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide
PubChem CID70286579
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide
SMILESCCCNS(=O)(=O)C(C)(C)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C14H21ClN2O3S/c1-4-9-16-21(19,20)14(2,3)11-5-7-12(8-6-11)17-13(18)10-15/h5-8,16H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyVCYFOPWFZBEYMG-UHFFFAOYSA-N
XLogP2.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide (CID 70286579) is 2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide is CCCNS(=O)(=O)C(C)(C)c1ccc(NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide?
The InChIKey is VCYFOPWFZBEYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-9-16-21(19,20)14(2,3)11-5-7-12(8-6-11)17-13(18)10-15/h5-8,16H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide?
2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide has a molecular weight of 332.85 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide is sourced from PubChem (CID 70286579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).