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

C15H14ClNO4S — CID 146154395

IUPAC3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO4S/c1-22(19,20)17-15(18)12-3-2-4-14(9-12)21-10-11-5-7-13(16)8-6-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeySZOOECUILYJNHY-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.61
Rot. Bonds5

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

3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide (PubChem CID 146154395) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
PubChem CID146154395
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClNO4S/c1-22(19,20)17-15(18)12-3-2-4-14(9-12)21-10-11-5-7-13(16)8-6-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeySZOOECUILYJNHY-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

N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176390
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738
3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 134136186
2-[3-[(4-chlorophenyl)methoxy]phenyl]prop-2-enyl methanesulfonate
CID 118140858
4-[3-[(4-chlorophenyl)methoxy]phenyl]-2,4-dioxobutanoic acid
CID 91935361
N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide
CID 7916431
N-[5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 55544586
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N-[3-[[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31322107
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide (CID 146154395) is 3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cccc(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide?
The InChIKey is SZOOECUILYJNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-22(19,20)17-15(18)12-3-2-4-14(9-12)21-10-11-5-7-13(16)8-6-11/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide?
3-[(4-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 3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide is sourced from PubChem (CID 146154395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).