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

C11H14Cl2N2O3S — CID 138857440

IUPAC2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)NS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O3S/c1-7(2)15-19(17,18)10-5-8(3-4-9(10)13)14-11(16)6-12/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeyKNMHYCCVNWINHU-UHFFFAOYSA-N
MW325.22 g/mol
LogP2.20
Rot. Bonds5

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

2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 138857440) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide
PubChem CID138857440
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC Name2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide
SMILESCC(C)NS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O3S/c1-7(2)15-19(17,18)10-5-8(3-4-9(10)13)14-11(16)6-12/h3-5,7,15H,6H2,1-2H3,(H,14,16)
InChIKeyKNMHYCCVNWINHU-UHFFFAOYSA-N
XLogP2.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 52.20
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-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
CID 3860347
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 720082
2-chloro-N-[4-chloro-3-(morpholine-4-sulfonyl)phenyl]acetamide
CID 3816252
2-chloro-N-[4-chloro-3-[2-methoxyethyl(methyl)sulfamoyl]phenyl]acetamide
CID 138857439
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4881219
N-[5-(azepane-1-sulfonyl)-2-chlorophenyl]-2-chloroacetamide
CID 3688338
N-[3-(azepane-1-sulfonyl)phenyl]-2-chloroacetamide
CID 3865136
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 3962514
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 4966182
2-chloro-N-[4-chloro-3-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 155512763
2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide
CID 155514182
2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide
CID 155515426

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide (CID 138857440) is 2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide is CC(C)NS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is KNMHYCCVNWINHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c1-7(2)15-19(17,18)10-5-8(3-4-9(10)13)14-11(16)6-12/h3-5,7,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide?
2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 325.22 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 138857440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).