2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide

C13H16ClN3O3S — CID 103989074

IUPAC2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C13H16ClN3O3S/c1-2-3-6-17(9-13(16)18)21(19,20)12-5-4-10(8-15)7-11(12)14/h4-5,7H,2-3,6,9H2,1H3,(H2,16,18)
InChIKeyKBQAAFBHZRICQX-UHFFFAOYSA-N
MW329.81 g/mol
LogP1.49
Rot. Bonds7

About 2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide

2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide (PubChem CID 103989074) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide
PubChem CID103989074
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC Name2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide
SMILESCCCCN(CC(N)=O)S(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C13H16ClN3O3S/c1-2-3-6-17(9-13(16)18)21(19,20)12-5-4-10(8-15)7-11(12)14/h4-5,7H,2-3,6,9H2,1H3,(H2,16,18)
InChIKeyKBQAAFBHZRICQX-UHFFFAOYSA-N
XLogP1.49
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 103989150
2-amino-N-butyl-4-cyano-N-ethylbenzenesulfonamide
CID 64899980
2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide
CID 75451266
methyl 3-[(2-chloro-4-cyanophenyl)sulfonyl-ethylamino]propanoate
CID 103989148
2-[butyl-(2,4-dibromophenyl)sulfonylamino]acetamide
CID 47318380
2-chloro-4-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 103989351
2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 103989310
2-(2-chloro-4-cyano-N-ethylanilino)acetamide
CID 103102412
2-[(2-amino-5-fluorophenyl)sulfonyl-butylamino]acetamide
CID 61105509
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
2-chloro-4-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 103990035
2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
CID 61106635

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide (CID 103989074) is 2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide is CCCCN(CC(N)=O)S(=O)(=O)c1ccc(C#N)cc1Cl.
What is the InChIKey of 2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide?
The InChIKey is KBQAAFBHZRICQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-2-3-6-17(9-13(16)18)21(19,20)12-5-4-10(8-15)7-11(12)14/h4-5,7H,2-3,6,9H2,1H3,(H2,16,18).
What are the key properties of 2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide?
2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide has a molecular weight of 329.81 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 103989074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).