3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide

C22H21NO6S — CID 91328901

IUPAC3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2cccc(-c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C22H21NO6S/c1-27-19-13-17(14-20(28-2)21(19)29-3)22(24)23-30(25,26)18-11-7-10-16(12-18)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,23,24)
InChIKeyIOPUSTNNDNUMSB-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.50
Rot. Bonds7

About 3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide

3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide (PubChem CID 91328901) has the molecular formula C22H21NO6S and a molecular weight of 427.48 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide
PubChem CID91328901
Molecular FormulaC22H21NO6S
Molecular Weight427.48 g/mol
Exact Mass427.11
IUPAC Name3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2cccc(-c3ccccc3)c2)cc(OC)c1OC
InChIInChI=1S/C22H21NO6S/c1-27-19-13-17(14-20(28-2)21(19)29-3)22(24)23-30(25,26)18-11-7-10-16(12-18)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,23,24)
InChIKeyIOPUSTNNDNUMSB-UHFFFAOYSA-N
XLogP3.50
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
3-chloro-N-(3-cyanophenyl)sulfonyl-4,5-dimethoxybenzamide
CID 75403992
N-(benzenesulfonyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 171617358
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
CID 31301682
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 164618952
N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide
CID 71940242
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
3,4,5-trimethoxy-N-[[3-[(4-phenylphenyl)carbamoylamino]phenyl]carbamoyl]benzamide
CID 58506935
4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11462658
N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 26980277
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide (CID 91328901) is 3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide is COc1cc(C(=O)NS(=O)(=O)c2cccc(-c3ccccc3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide?
The InChIKey is IOPUSTNNDNUMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6S/c1-27-19-13-17(14-20(28-2)21(19)29-3)22(24)23-30(25,26)18-11-7-10-16(12-18)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,23,24).
What are the key properties of 3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide?
3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide has a molecular weight of 427.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide is sourced from PubChem (CID 91328901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).