2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide

C13H17ClN2O3S — CID 81179982

IUPAC2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CS(=O)(=O)c1cc(Cl)ccc1N)C1CC1
InChIInChI=1S/C13H17ClN2O3S/c1-2-16(10-4-5-10)13(17)8-20(18,19)12-7-9(14)3-6-11(12)15/h3,6-7,10H,2,4-5,8,15H2,1H3
InChIKeyVZNFSAJUHKPACM-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.71
Rot. Bonds5

About 2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide

2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide (PubChem CID 81179982) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide
PubChem CID81179982
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CS(=O)(=O)c1cc(Cl)ccc1N)C1CC1
InChIInChI=1S/C13H17ClN2O3S/c1-2-16(10-4-5-10)13(17)8-20(18,19)12-7-9(14)3-6-11(12)15/h3,6-7,10H,2,4-5,8,15H2,1H3
InChIKeyVZNFSAJUHKPACM-UHFFFAOYSA-N
XLogP1.71
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide (CID 81179982) is 2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CS(=O)(=O)c1cc(Cl)ccc1N)C1CC1.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide?
The InChIKey is VZNFSAJUHKPACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-2-16(10-4-5-10)13(17)8-20(18,19)12-7-9(14)3-6-11(12)15/h3,6-7,10H,2,4-5,8,15H2,1H3.
What are the key properties of 2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide?
2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide has a molecular weight of 316.81 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)sulfonyl-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 81179982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).