5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide

C21H18BrClN2O4S — CID 21065058

IUPAC5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18BrClN2O4S/c1-29-20-5-3-2-4-14(20)13-24-21(26)18-12-15(22)6-11-19(18)25-30(27,28)17-9-7-16(23)8-10-17/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyDUDNGOCRTWGQIW-UHFFFAOYSA-N
MW509.81 g/mol
LogP4.84
Rot. Bonds7

About 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide

5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 21065058) has the molecular formula C21H18BrClN2O4S and a molecular weight of 509.81 g/mol. Its IUPAC name is 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID21065058
Molecular FormulaC21H18BrClN2O4S
Molecular Weight509.81 g/mol
Exact Mass507.99
IUPAC Name5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18BrClN2O4S/c1-29-20-5-3-2-4-14(20)13-24-21(26)18-12-15(22)6-11-19(18)25-30(27,28)17-9-7-16(23)8-10-17/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyDUDNGOCRTWGQIW-UHFFFAOYSA-N
XLogP4.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.81
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-3-[(2-methoxyphenyl)methyl]urea
CID 44586473
4-[(2-fluorophenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 9246337
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N-[4-bromo-2-(2-methoxybenzoyl)phenyl]-4-methylbenzenesulfonamide
CID 90931768
2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713234
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951
2-bromo-N-[(2-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26734286
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2966457
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291475

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide (CID 21065058) is 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is DUDNGOCRTWGQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN2O4S/c1-29-20-5-3-2-4-14(20)13-24-21(26)18-12-15(22)6-11-19(18)25-30(27,28)17-9-7-16(23)8-10-17/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide?
5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 509.81 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-chlorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 21065058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).