2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide

C11H13ClN2O2S — CID 81201540

IUPAC2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide
SMILESNc1ccc(S(=O)CC(=O)NC2CC2)cc1Cl
InChIInChI=1S/C11H13ClN2O2S/c12-9-5-8(3-4-10(9)13)17(16)6-11(15)14-7-1-2-7/h3-5,7H,1-2,6,13H2,(H,14,15)
InChIKeySFLCRLJDGLIBGH-UHFFFAOYSA-N
MW272.76 g/mol
LogP1.31
Rot. Bonds4

About 2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide

2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide (PubChem CID 81201540) has the molecular formula C11H13ClN2O2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide
PubChem CID81201540
Molecular FormulaC11H13ClN2O2S
Molecular Weight272.76 g/mol
Exact Mass272.04
IUPAC Name2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide
SMILESNc1ccc(S(=O)CC(=O)NC2CC2)cc1Cl
InChIInChI=1S/C11H13ClN2O2S/c12-9-5-8(3-4-10(9)13)17(16)6-11(15)14-7-1-2-7/h3-5,7H,1-2,6,13H2,(H,14,15)
InChIKeySFLCRLJDGLIBGH-UHFFFAOYSA-N
XLogP1.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 51.31
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-(4-amino-3-methylphenyl)sulfinyl-N-(oxan-4-yl)acetamide
CID 81181407
2-(2-amino-5-bromophenyl)sulfinyl-N-cyclopropylacetamide
CID 81207741
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide
CID 81174688
2-chloro-4-(oxan-4-ylmethylsulfinyl)aniline
CID 81201788
2-(2-aminophenyl)sulfinyl-N-cyclopentylacetamide
CID 61366715
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide
CID 61287409
2-(4-amino-2-bromophenyl)sulfinyl-N-cyclopentylacetamide
CID 82833917
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylacetamide
CID 81191221
4-benzylsulfinyl-2-chloroaniline
CID 81202131
N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide
CID 39991988
2-chloro-4-(2-methylsulfonylethylsulfinyl)aniline
CID 81202021

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide (CID 81201540) is 2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide is Nc1ccc(S(=O)CC(=O)NC2CC2)cc1Cl.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide?
The InChIKey is SFLCRLJDGLIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2S/c12-9-5-8(3-4-10(9)13)17(16)6-11(15)14-7-1-2-7/h3-5,7H,1-2,6,13H2,(H,14,15).
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide?
2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide has a molecular weight of 272.76 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfinyl-N-cyclopropylacetamide is sourced from PubChem (CID 81201540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).