2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide

C11H15ClN2O3S — CID 54867179

IUPAC2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C(C)Cl)cc1
InChIInChI=1S/C11H15ClN2O3S/c1-3-18(16,17)14-10-6-4-9(5-7-10)13-11(15)8(2)12/h4-8,14H,3H2,1-2H3,(H,13,15)
InChIKeyXZHRBRMNCDGZFI-UHFFFAOYSA-N
MW290.77 g/mol
LogP2.01
Rot. Bonds5

About 2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide

2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide (PubChem CID 54867179) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
PubChem CID54867179
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)C(C)Cl)cc1
InChIInChI=1S/C11H15ClN2O3S/c1-3-18(16,17)14-10-6-4-9(5-7-10)13-11(15)8(2)12/h4-8,14H,3H2,1-2H3,(H,13,15)
InChIKeyXZHRBRMNCDGZFI-UHFFFAOYSA-N
XLogP2.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 52.01
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-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
(2S)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-3-methylpentanamide
CID 61172500
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide
CID 104684256
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
(2R)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methylsulfanylbutanamide
CID 104907564
2-amino-N-[4-(ethylsulfonylamino)phenyl]-4-methoxybutanamide
CID 62473931
2-bromo-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 63679707
(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 1000043
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
N-[4-(ethylsulfonylamino)phenyl]-2-(methylamino)acetamide
CID 54863090
ethyl 4-(2-chloropropanoylamino)benzoate
CID 42599434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide?
The IUPAC name of 2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide (CID 54867179) is 2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide.
What is the SMILES notation for 2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide?
The canonical SMILES for 2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide is CCS(=O)(=O)Nc1ccc(NC(=O)C(C)Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide?
The InChIKey is XZHRBRMNCDGZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-3-18(16,17)14-10-6-4-9(5-7-10)13-11(15)8(2)12/h4-8,14H,3H2,1-2H3,(H,13,15).
What are the key properties of 2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide?
2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide has a molecular weight of 290.77 g/mol, XLogP of 2.01, 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-(ethylsulfonylamino)phenyl]propanamide is sourced from PubChem (CID 54867179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).