3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide

C22H20Cl2N2O4S — CID 24807244

IUPAC3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide
SMILESCN(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H20Cl2N2O4S/c1-26(31(2,28)29)20-11-9-17(13-21(20)30-14-15-6-4-3-5-7-15)25-22(27)16-8-10-18(23)19(24)12-16/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyLGGILCMJCCOGMC-UHFFFAOYSA-N
MW479.39 g/mol
LogP5.22
Rot. Bonds7

About 3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide

3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide (PubChem CID 24807244) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide
PubChem CID24807244
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC Name3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide
SMILESCN(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H20Cl2N2O4S/c1-26(31(2,28)29)20-11-9-17(13-21(20)30-14-15-6-4-3-5-7-15)25-22(27)16-8-10-18(23)19(24)12-16/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyLGGILCMJCCOGMC-UHFFFAOYSA-N
XLogP5.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[[1-(3,4-dichlorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]ethoxy]phenyl]acetamide
CID 132247307
N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]cyclohexanecarboxamide
CID 24807243
4-cyano-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide
CID 24807434
N-[4-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 24887768
N-[4-[4-(3,4-dichlorophenyl)-5-oxo-2H-pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 24887966
4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-3-nitrobenzamide
CID 56968624
3,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 56968625
2,4-dichloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 56969065
4-chloro-N-[3-[(2,5-dimethylphenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 56969726
N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-iodobenzamide
CID 67283362
N-[3-[(2,5-dichlorophenyl)methoxy]-4-[methyl(methylsulfonyl)amino]phenyl]-4-methoxybenzamide
CID 67283402
4-chloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]-3-nitrobenzamide
CID 24807245

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide (CID 24807244) is 3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide is CN(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide?
The InChIKey is LGGILCMJCCOGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-26(31(2,28)29)20-11-9-17(13-21(20)30-14-15-6-4-3-5-7-15)25-22(27)16-8-10-18(23)19(24)12-16/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of 3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide?
3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide has a molecular weight of 479.39 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-[methyl(methylsulfonyl)amino]-3-phenylmethoxyphenyl]benzamide is sourced from PubChem (CID 24807244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).