3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide

C23H21F2NO5S — CID 55777909

IUPAC3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1OC(F)F
InChIInChI=1S/C23H21F2NO5S/c1-30-20-11-10-16(13-21(20)31-23(24)25)14-26-22(27)18-7-5-6-17(12-18)15-32(28,29)19-8-3-2-4-9-19/h2-13,23H,14-15H2,1H3,(H,26,27)
InChIKeyAZZYDCLLQASILV-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.20
Rot. Bonds9

About 3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide

3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide (PubChem CID 55777909) has the molecular formula C23H21F2NO5S and a molecular weight of 461.49 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide
PubChem CID55777909
Molecular FormulaC23H21F2NO5S
Molecular Weight461.49 g/mol
Exact Mass461.11
IUPAC Name3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1OC(F)F
InChIInChI=1S/C23H21F2NO5S/c1-30-20-11-10-16(13-21(20)31-23(24)25)14-26-22(27)18-7-5-6-17(12-18)15-32(28,29)19-8-3-2-4-9-19/h2-13,23H,14-15H2,1H3,(H,26,27)
InChIKeyAZZYDCLLQASILV-UHFFFAOYSA-N
XLogP4.20
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide
CID 9261943
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31553898
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-iodo-3-methylbenzamide
CID 55691012
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161
3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55743105
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
N-[[4-(carbamoylamino)phenyl]methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 51122096
N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide (CID 55777909) is 3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide is COc1ccc(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)cc1OC(F)F.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide?
The InChIKey is AZZYDCLLQASILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO5S/c1-30-20-11-10-16(13-21(20)31-23(24)25)14-26-22(27)18-7-5-6-17(12-18)15-32(28,29)19-8-3-2-4-9-19/h2-13,23H,14-15H2,1H3,(H,26,27).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide?
3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide has a molecular weight of 461.49 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]benzamide is sourced from PubChem (CID 55777909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).