3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide

C17H19ClN2O4S — CID 3304983

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-24-15-6-2-13(3-7-15)12-19-17(21)10-11-20-25(22,23)16-8-4-14(18)5-9-16/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyYMBOBIFNRZGOOD-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.33
Rot. Bonds8

About 3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 3304983) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID3304983
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-24-15-6-2-13(3-7-15)12-19-17(21)10-11-20-25(22,23)16-8-4-14(18)5-9-16/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyYMBOBIFNRZGOOD-UHFFFAOYSA-N
XLogP2.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 9867067
CID 9867067
CID 4578038
CID 4578038
CID 71453378
CID 71453378
CID 71456876
CID 71456876
CID 71456886
CID 71456886
CID 71458734
CID 71458734
CID 71462262
CID 71462262
CID 890682
CID 890682
CID 11189908
CID 11189908
CID 11430149
CID 11430149
CID 11510496
CID 11510496
CID 16035476
CID 16035476

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 3304983) is 3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is YMBOBIFNRZGOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-24-15-6-2-13(3-7-15)12-19-17(21)10-11-20-25(22,23)16-8-4-14(18)5-9-16/h2-9,20H,10-12H2,1H3,(H,19,21).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 382.87 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 3304983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).