4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide

C22H21BrN2O4S — CID 20854229

IUPAC4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C22H21BrN2O4S/c1-29-20-10-4-16(5-11-20)14-24-22(26)18-6-2-17(3-7-18)15-25-30(27,28)21-12-8-19(23)9-13-21/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyRLAKDDSJVWTXRQ-UHFFFAOYSA-N
MW489.39 g/mol
LogP3.87
Rot. Bonds8

About 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide

4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 20854229) has the molecular formula C22H21BrN2O4S and a molecular weight of 489.39 g/mol. Its IUPAC name is 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID20854229
Molecular FormulaC22H21BrN2O4S
Molecular Weight489.39 g/mol
Exact Mass488.04
IUPAC Name4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C22H21BrN2O4S/c1-29-20-10-4-16(5-11-20)14-24-22(26)18-6-2-17(3-7-18)15-25-30(27,28)21-12-8-19(23)9-13-21/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyRLAKDDSJVWTXRQ-UHFFFAOYSA-N
XLogP3.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 20854193
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548773
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide (CID 20854229) is 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is RLAKDDSJVWTXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4S/c1-29-20-10-4-16(5-11-20)14-24-22(26)18-6-2-17(3-7-18)15-25-30(27,28)21-12-8-19(23)9-13-21/h2-13,25H,14-15H2,1H3,(H,24,26).
What are the key properties of 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide?
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 489.39 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 20854229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).