2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide

C11H15ClN2O2S — CID 81201988

IUPAC2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-2-5-14-11(15)7-17(16)10-6-8(13)3-4-9(10)12/h3-4,6H,2,5,7,13H2,1H3,(H,14,15)
InChIKeyRBYVFQUSUGHKNW-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.56
Rot. Bonds5

About 2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide

2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide (PubChem CID 81201988) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide
PubChem CID81201988
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-2-5-14-11(15)7-17(16)10-6-8(13)3-4-9(10)12/h3-4,6H,2,5,7,13H2,1H3,(H,14,15)
InChIKeyRBYVFQUSUGHKNW-UHFFFAOYSA-N
XLogP1.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 81202421
2-(5-amino-2-chlorophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81201983
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81202410
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81182538
2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81207763
2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide
CID 81201509
4-chloro-3-(2-propoxyethylsulfinyl)aniline
CID 106460067
4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide
CID 94279162
2-(2-amino-5-bromophenyl)sulfinyl-N-butylacetamide
CID 81207148
2-(4-amino-2-fluorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 81192164
N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide
CID 61287005

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide (CID 81201988) is 2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide is CCCNC(=O)CS(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide?
The InChIKey is RBYVFQUSUGHKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-2-5-14-11(15)7-17(16)10-6-8(13)3-4-9(10)12/h3-4,6H,2,5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide?
2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide has a molecular weight of 274.77 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfinyl-N-propylacetamide is sourced from PubChem (CID 81201988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).