5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide

C14H12BrFN2O4S — CID 141302035

IUPAC5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide
SMILESCOc1c(NS(=O)(=O)c2ccc(F)cc2)cc(Br)cc1C(N)=O
InChIInChI=1S/C14H12BrFN2O4S/c1-22-13-11(14(17)19)6-8(15)7-12(13)18-23(20,21)10-4-2-9(16)3-5-10/h2-7,18H,1H3,(H2,17,19)
InChIKeyMNGDJILFYIGVAS-UHFFFAOYSA-N
MW403.23 g/mol
LogP2.50
Rot. Bonds5

About 5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide

5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide (PubChem CID 141302035) has the molecular formula C14H12BrFN2O4S and a molecular weight of 403.23 g/mol. Its IUPAC name is 5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide
PubChem CID141302035
Molecular FormulaC14H12BrFN2O4S
Molecular Weight403.23 g/mol
Exact Mass401.97
IUPAC Name5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide
SMILESCOc1c(NS(=O)(=O)c2ccc(F)cc2)cc(Br)cc1C(N)=O
InChIInChI=1S/C14H12BrFN2O4S/c1-22-13-11(14(17)19)6-8(15)7-12(13)18-23(20,21)10-4-2-9(16)3-5-10/h2-7,18H,1H3,(H2,17,19)
InChIKeyMNGDJILFYIGVAS-UHFFFAOYSA-N
XLogP2.50
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 90030487
4-[(3-bromo-5-fluoro-2-methoxyphenyl)sulfamoyl]benzoic acid
CID 17488827
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
2-(benzenesulfonamido)-3,5-dibromobenzamide
CID 155816192
5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 82683778
3,5-dibromo-2-methoxybenzamide
CID 28665425
methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 2990334
N-[4-bromo-2-(2-methoxybenzoyl)phenyl]-4-methylbenzenesulfonamide
CID 90931768
4-bromo-2-[(4-bromophenyl)sulfonylamino]benzenecarbothioamide
CID 107799027
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
CID 39846088

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide?
The IUPAC name of 5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide (CID 141302035) is 5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide is COc1c(NS(=O)(=O)c2ccc(F)cc2)cc(Br)cc1C(N)=O.
What is the InChIKey of 5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide?
The InChIKey is MNGDJILFYIGVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O4S/c1-22-13-11(14(17)19)6-8(15)7-12(13)18-23(20,21)10-4-2-9(16)3-5-10/h2-7,18H,1H3,(H2,17,19).
What are the key properties of 5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide?
5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide has a molecular weight of 403.23 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide is sourced from PubChem (CID 141302035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).