N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

C18H18BrFN2O4S — CID 2711558

IUPACN-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H18BrFN2O4S/c1-12-2-3-13(18(23)21-16-5-4-14(19)11-15(16)20)10-17(12)27(24,25)22-6-8-26-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23)
InChIKeyBIIFPRUBOJGIMS-UHFFFAOYSA-N
MW457.32 g/mol
LogP3.17
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide

N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2711558) has the molecular formula C18H18BrFN2O4S and a molecular weight of 457.32 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2711558
Molecular FormulaC18H18BrFN2O4S
Molecular Weight457.32 g/mol
Exact Mass456.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H18BrFN2O4S/c1-12-2-3-13(18(23)21-16-5-4-14(19)11-15(16)20)10-17(12)27(24,25)22-6-8-26-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23)
InChIKeyBIIFPRUBOJGIMS-UHFFFAOYSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
methyl 4-methyl-3-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198227
N-(4-bromo-2-methylphenyl)-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46450377
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55895692
N-[2-(2-amino-2-oxoethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55670048
N-(2-benzylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 5161786
4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2940828
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501
N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062523
N-(4-bromo-2-fluorophenyl)-4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 41080630

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 2711558) is N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BIIFPRUBOJGIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O4S/c1-12-2-3-13(18(23)21-16-5-4-14(19)11-15(16)20)10-17(12)27(24,25)22-6-8-26-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,21,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 457.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2711558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).