4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide

C15H14ClNO4S — CID 56644738

IUPAC4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO4S/c1-22(19,20)17-15(18)12-5-7-14(8-6-12)21-10-11-3-2-4-13(16)9-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyHJISVANKNKGXRE-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.61
Rot. Bonds5

About 4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide

4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide (PubChem CID 56644738) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
PubChem CID56644738
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO4S/c1-22(19,20)17-15(18)12-5-7-14(8-6-12)21-10-11-3-2-4-13(16)9-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyHJISVANKNKGXRE-UHFFFAOYSA-N
XLogP2.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 146154395
N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246369
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 1274166
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 2763529
(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide
CID 11594891
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 175884852
2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide
CID 10732289
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide
CID 10639305
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
CID 6279107

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide (CID 56644738) is 4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide?
The InChIKey is HJISVANKNKGXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-22(19,20)17-15(18)12-5-7-14(8-6-12)21-10-11-3-2-4-13(16)9-11/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide?
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide has a molecular weight of 339.80 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide is sourced from PubChem (CID 56644738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).