5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide

C18H18BrClN2O4S — CID 30505497

IUPAC5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H18BrClN2O4S/c19-14-3-6-17(20)16(11-14)18(23)21-12-13-1-4-15(5-2-13)27(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyIVWNMYCOQRAMJL-UHFFFAOYSA-N
MW473.78 g/mol
LogP3.05
Rot. Bonds5

About 5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide

5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide (PubChem CID 30505497) has the molecular formula C18H18BrClN2O4S and a molecular weight of 473.78 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
PubChem CID30505497
Molecular FormulaC18H18BrClN2O4S
Molecular Weight473.78 g/mol
Exact Mass471.99
IUPAC Name5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H18BrClN2O4S/c19-14-3-6-17(20)16(11-14)18(23)21-12-13-1-4-15(5-2-13)27(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyIVWNMYCOQRAMJL-UHFFFAOYSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)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

2-chloro-5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798204
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
2-chloro-5-morpholin-4-ylsulfonyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 39688336
2-chloro-5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 41311671
5-(azepan-1-ylsulfonyl)-2-chloro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767784
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]quinoline-6-carboxamide
CID 55825308
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
5-chloro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55381019
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide (CID 30505497) is 5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide?
The InChIKey is IVWNMYCOQRAMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O4S/c19-14-3-6-17(20)16(11-14)18(23)21-12-13-1-4-15(5-2-13)27(24,25)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,21,23).
What are the key properties of 5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide?
5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide has a molecular weight of 473.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 30505497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).