3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide

C11H15ClN2O3S — CID 43699275

IUPAC3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccccc1NC(=O)CCCl
InChIInChI=1S/C11H15ClN2O3S/c1-2-13-18(16,17)10-6-4-3-5-9(10)14-11(15)7-8-12/h3-6,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyGJAVAZPWLKGGDS-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.55
Rot. Bonds6

About 3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide

3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide (PubChem CID 43699275) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide
PubChem CID43699275
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccccc1NC(=O)CCCl
InChIInChI=1S/C11H15ClN2O3S/c1-2-13-18(16,17)10-6-4-3-5-9(10)14-11(15)7-8-12/h3-6,13H,2,7-8H2,1H3,(H,14,15)
InChIKeyGJAVAZPWLKGGDS-UHFFFAOYSA-N
XLogP1.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.55
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

N-[2-(ethylsulfamoyl)phenyl]-5-hydroxypentanamide
CID 79198757
2-(cyclopropylmethylamino)-N-[2-(ethylsulfamoyl)phenyl]acetamide
CID 60866551
2-hydroxyethyl N-[2-(ethylsulfamoyl)phenyl]carbamate
CID 79345271
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
1-amino-N-[2-(ethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60853345
(2S)-2-amino-N-[2-(ethylsulfamoyl)phenyl]pentanamide
CID 107568567
N-(2-chlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 2984291
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60940929

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide (CID 43699275) is 3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide is CCNS(=O)(=O)c1ccccc1NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide?
The InChIKey is GJAVAZPWLKGGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-2-13-18(16,17)10-6-4-3-5-9(10)14-11(15)7-8-12/h3-6,13H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide?
3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide has a molecular weight of 290.77 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 43699275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).