N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide

C22H22N2O6S — CID 69347102

IUPACN-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O6S/c1-28-19-13-16(14-20(29-2)21(19)30-3)31(26,27)24-18-12-8-7-11-17(18)23-22(25)15-9-5-4-6-10-15/h4-14,24H,1-3H3,(H,23,25)
InChIKeyQUUQESPWGTXNKV-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.77
Rot. Bonds8

About N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide

N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 69347102) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
PubChem CID69347102
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC NameN-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O6S/c1-28-19-13-16(14-20(29-2)21(19)30-3)31(26,27)24-18-12-8-7-11-17(18)23-22(25)15-9-5-4-6-10-15/h4-14,24H,1-3H3,(H,23,25)
InChIKeyQUUQESPWGTXNKV-UHFFFAOYSA-N
XLogP3.77
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide
CID 49202399
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 27258631
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 26979377
CID 171762168
CID 171762168
N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
CID 3738165
4-hydroxy-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294835

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide (CID 69347102) is N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide is COc1cc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is QUUQESPWGTXNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c1-28-19-13-16(14-20(29-2)21(19)30-3)31(26,27)24-18-12-8-7-11-17(18)23-22(25)15-9-5-4-6-10-15/h4-14,24H,1-3H3,(H,23,25).
What are the key properties of N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide?
N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 442.49 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 69347102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).