2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide

C22H19BrN2O4S — CID 32535159

IUPAC2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C22H19BrN2O4S/c1-30(28,29)25-18-6-4-5-15(13-18)14-24-22(27)20-8-3-2-7-19(20)21(26)16-9-11-17(23)12-10-16/h2-13,25H,14H2,1H3,(H,24,27)
InChIKeyKMRNIJXKVQQRHO-UHFFFAOYSA-N
MW487.38 g/mol
LogP3.98
Rot. Bonds7

About 2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide

2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide (PubChem CID 32535159) has the molecular formula C22H19BrN2O4S and a molecular weight of 487.38 g/mol. Its IUPAC name is 2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
PubChem CID32535159
Molecular FormulaC22H19BrN2O4S
Molecular Weight487.38 g/mol
Exact Mass486.02
IUPAC Name2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C22H19BrN2O4S/c1-30(28,29)25-18-6-4-5-15(13-18)14-24-22(27)20-8-3-2-7-19(20)21(26)16-9-11-17(23)12-10-16/h2-13,25H,14H2,1H3,(H,24,27)
InChIKeyKMRNIJXKVQQRHO-UHFFFAOYSA-N
XLogP3.98
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide
CID 39976343
2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953
2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide
CID 60515223
5-chloro-2-iodo-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 46453145
6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide
CID 32536301
2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide
CID 32566324
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174
2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide
CID 53283727
N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide
CID 46533069
methyl 4-[[3-(methanesulfonamido)phenyl]methylcarbamoylamino]benzoate
CID 47039865
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 41479014
2-benzoyl-N-[(3-ethoxyphenyl)methyl]benzamide
CID 55843893

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide?
The IUPAC name of 2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide (CID 32535159) is 2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide?
The canonical SMILES for 2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide is CS(=O)(=O)Nc1cccc(CNC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide?
The InChIKey is KMRNIJXKVQQRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O4S/c1-30(28,29)25-18-6-4-5-15(13-18)14-24-22(27)20-8-3-2-7-19(20)21(26)16-9-11-17(23)12-10-16/h2-13,25H,14H2,1H3,(H,24,27).
What are the key properties of 2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide?
2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide has a molecular weight of 487.38 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide is sourced from PubChem (CID 32535159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).