N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide

C12H16ClNO4S — CID 47269873

IUPACN-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide
SMILESCCOCCCC(=O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO4S/c1-2-18-8-4-7-12(15)14-19(16,17)11-6-3-5-10(13)9-11/h3,5-6,9H,2,4,7-8H2,1H3,(H,14,15)
InChIKeyXWRSBXUCZWLASH-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.96
Rot. Bonds7

About N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide

N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide (PubChem CID 47269873) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide
PubChem CID47269873
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC NameN-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide
SMILESCCOCCCC(=O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO4S/c1-2-18-8-4-7-12(15)14-19(16,17)11-6-3-5-10(13)9-11/h3,5-6,9H,2,4,7-8H2,1H3,(H,14,15)
InChIKeyXWRSBXUCZWLASH-UHFFFAOYSA-N
XLogP1.96
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea
CID 44587806
N-(2,5-dimethylphenyl)sulfonyl-4-ethoxybutanamide
CID 47269188
(3-chlorophenyl)sulfonylurea
CID 117060605
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
3-chloro-N-ethoxybenzenesulfonamide
CID 60700498
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111894153
N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide
CID 55823205
N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
CID 47269831
N-(3-chlorophenyl)sulfonyl-3-indol-1-ylpropanamide
CID 86997837
1-(3-chlorophenyl)sulfonyl-3-propylthiourea
CID 119088818

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide (CID 47269873) is N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide is CCOCCCC(=O)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide?
The InChIKey is XWRSBXUCZWLASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-2-18-8-4-7-12(15)14-19(16,17)11-6-3-5-10(13)9-11/h3,5-6,9H,2,4,7-8H2,1H3,(H,14,15).
What are the key properties of N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide?
N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide has a molecular weight of 305.78 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide is sourced from PubChem (CID 47269873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).