N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide

C10H12ClNO4S — CID 47347573

IUPACN-(4-chlorophenyl)sulfonyl-2-methoxypropanamide
SMILESCOC(C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO4S/c1-7(16-2)10(13)12-17(14,15)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyYXMIQDWHNXBYRS-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.18
Rot. Bonds4

About N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide

N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide (PubChem CID 47347573) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-methoxypropanamide
PubChem CID47347573
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-methoxypropanamide
SMILESCOC(C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO4S/c1-7(16-2)10(13)12-17(14,15)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyYXMIQDWHNXBYRS-UHFFFAOYSA-N
XLogP1.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide (CID 47347573) is N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide is COC(C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide?
The InChIKey is YXMIQDWHNXBYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-7(16-2)10(13)12-17(14,15)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide?
N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide has a molecular weight of 277.73 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-methoxypropanamide is sourced from PubChem (CID 47347573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).