3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide

C17H18ClNO4S — CID 25162879

IUPAC3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H18ClNO4S/c1-23-14-6-4-5-13(11-14)12-19-17(20)9-10-24(21,22)16-8-3-2-7-15(16)18/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyFAHXYLPPLHXZFL-UHFFFAOYSA-N
MW367.85 g/mol
LogP2.83
Rot. Bonds7

About 3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide

3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 25162879) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID25162879
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H18ClNO4S/c1-23-14-6-4-5-13(11-14)12-19-17(20)9-10-24(21,22)16-8-3-2-7-15(16)18/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyFAHXYLPPLHXZFL-UHFFFAOYSA-N
XLogP2.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 3239199
4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 91309670
3-[(2-chlorophenyl)sulfonylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 55858772
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
3-[(2-fluorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 5177299
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 23603100
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide
CID 42100153
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 8022268
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide (CID 25162879) is 3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)CCS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is FAHXYLPPLHXZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-23-14-6-4-5-13(11-14)12-19-17(20)9-10-24(21,22)16-8-3-2-7-15(16)18/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide?
3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 367.85 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 25162879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).