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

C21H20N2O5S — CID 15294861

IUPACN-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C21H20N2O5S/c1-27-19-13-12-16(14-20(19)28-2)29(25,26)23-18-11-7-6-10-17(18)22-21(24)15-8-4-3-5-9-15/h3-14,23H,1-2H3,(H,22,24)
InChIKeyCAZRXPFVYZSYRL-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.76
Rot. Bonds7

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

N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 15294861) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
PubChem CID15294861
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC NameN-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C21H20N2O5S/c1-27-19-13-12-16(14-20(19)28-2)29(25,26)23-18-11-7-6-10-17(18)22-21(24)15-8-4-3-5-9-15/h3-14,23H,1-2H3,(H,22,24)
InChIKeyCAZRXPFVYZSYRL-UHFFFAOYSA-N
XLogP3.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 69347102
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2824579
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
3-benzamido-4-methoxybenzenesulfonyl chloride
CID 43140030
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 24635874
3-[(3,4-dimethoxyphenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 45478490
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(methylsulfanylmethyl)benzamide
CID 24635975
5-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 20960000

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide (CID 15294861) is N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide is COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is CAZRXPFVYZSYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-27-19-13-12-16(14-20(19)28-2)29(25,26)23-18-11-7-6-10-17(18)22-21(24)15-8-4-3-5-9-15/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide?
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 412.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 15294861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).