N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide

C20H15BrFNO4S — CID 110166941

IUPACN-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(NS(=O)(=O)c1ccccc1Br)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H15BrFNO4S/c21-18-3-1-2-4-19(18)28(25,26)23-20(24)15-7-11-17(12-8-15)27-13-14-5-9-16(22)10-6-14/h1-12H,13H2,(H,23,24)
InChIKeyDRNOOWYVEABGKS-UHFFFAOYSA-N
MW464.31 g/mol
LogP4.29
Rot. Bonds6

About N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide

N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 110166941) has the molecular formula C20H15BrFNO4S and a molecular weight of 464.31 g/mol. Its IUPAC name is N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide
PubChem CID110166941
Molecular FormulaC20H15BrFNO4S
Molecular Weight464.31 g/mol
Exact Mass462.99
IUPAC NameN-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(NS(=O)(=O)c1ccccc1Br)c1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H15BrFNO4S/c21-18-3-1-2-4-19(18)28(25,26)23-20(24)15-7-11-17(12-8-15)27-13-14-5-9-16(22)10-6-14/h1-12H,13H2,(H,23,24)
InChIKeyDRNOOWYVEABGKS-UHFFFAOYSA-N
XLogP4.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110166037
4-fluoro-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide
CID 4933343
N-(2-bromophenyl)sulfonyl-5-fluoro-2-phenoxybenzamide
CID 110166027
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 139501079
2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde
CID 13340101
4-[(4-fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
N'-[4-[(2-bromophenoxy)methyl]benzoyl]-2-fluorobenzohydrazide
CID 17387628
N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide
CID 24624385
2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9391761
N-methyl-4-phenylmethoxybenzamide
CID 2996745

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide (CID 110166941) is N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide is O=C(NS(=O)(=O)c1ccccc1Br)c1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is DRNOOWYVEABGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrFNO4S/c21-18-3-1-2-4-19(18)28(25,26)23-20(24)15-7-11-17(12-8-15)27-13-14-5-9-16(22)10-6-14/h1-12H,13H2,(H,23,24).
What are the key properties of N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide?
N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 464.31 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 110166941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).