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

C22H19ClN2O5S — CID 134136186

IUPAC3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H19ClN2O5S/c1-31(28,29)25-22(27)17-9-12-20(30-14-15-7-10-18(23)11-8-15)19(13-17)24-21(26)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyTUEWQCSXDLONCQ-UHFFFAOYSA-N
MW458.92 g/mol
LogP3.86
Rot. Bonds7

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

3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide (PubChem CID 134136186) has the molecular formula C22H19ClN2O5S and a molecular weight of 458.92 g/mol. Its IUPAC name is 3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
PubChem CID134136186
Molecular FormulaC22H19ClN2O5S
Molecular Weight458.92 g/mol
Exact Mass458.07
IUPAC Name3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H19ClN2O5S/c1-31(28,29)25-22(27)17-9-12-20(30-14-15-7-10-18(23)11-8-15)19(13-17)24-21(26)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyTUEWQCSXDLONCQ-UHFFFAOYSA-N
XLogP3.86
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzamido-4-[(4-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 134132299
3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 146154395
3-[(5-methoxycarbonyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid
CID 167899955
3-benzamido-N-hydroxy-4-propoxybenzamide
CID 127046660
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
N-[5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 55544586
4-[(4-chlorophenyl)methoxy]-3-methoxy-N'-phenylbenzohydrazide
CID 78774841
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide
CID 67491415
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26250465
N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide
CID 26620629
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide?
The IUPAC name of 3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide (CID 134136186) is 3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide.
What is the SMILES notation for 3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide?
The canonical SMILES for 3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1ccc(OCc2ccc(Cl)cc2)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide?
The InChIKey is TUEWQCSXDLONCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5S/c1-31(28,29)25-22(27)17-9-12-20(30-14-15-7-10-18(23)11-8-15)19(13-17)24-21(26)16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide?
3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide has a molecular weight of 458.92 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide is sourced from PubChem (CID 134136186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).