N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide

C13H19ClN2O4S — CID 82913977

IUPACN-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C13H19ClN2O4S/c1-3-4-7-16-13(17)9(2)20-12-6-5-10(8-11(12)14)21(15,18)19/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyRAQOQRNVPAIAEO-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.67
Rot. Bonds7

About N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide

N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide (PubChem CID 82913977) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide.

Molecular Properties

Compound NameN-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide
PubChem CID82913977
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC NameN-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C13H19ClN2O4S/c1-3-4-7-16-13(17)9(2)20-12-6-5-10(8-11(12)14)21(15,18)19/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyRAQOQRNVPAIAEO-UHFFFAOYSA-N
XLogP1.67
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
CID 82922015
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-[4-(aminomethyl)-2-chlorophenoxy]-N-pentylpropanamide
CID 61389141
2-[1-(butylamino)-1-oxopropan-2-yl]oxy-5-chlorobenzenesulfonyl chloride
CID 82911347
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
2-[2-(aminomethyl)-3-chlorophenoxy]-N-butylpropanamide
CID 114318420
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 8978186
2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
CID 63322427
N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 55734024
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-butylpropanamide
CID 63052000

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide?
The IUPAC name of N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide (CID 82913977) is N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide.
What is the SMILES notation for N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide?
The canonical SMILES for N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide is CCCCNC(=O)C(C)Oc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide?
The InChIKey is RAQOQRNVPAIAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-3-4-7-16-13(17)9(2)20-12-6-5-10(8-11(12)14)21(15,18)19/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide?
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide has a molecular weight of 334.83 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide is sourced from PubChem (CID 82913977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).