4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide

C19H13BrFN3O5S — CID 1237508

IUPAC4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H13BrFN3O5S/c20-17-9-4-12(19(25)22-15-2-1-3-16(11-15)24(26)27)10-18(17)30(28,29)23-14-7-5-13(21)6-8-14/h1-11,23H,(H,22,25)
InChIKeySLZJHYBHDDKEHS-UHFFFAOYSA-N
MW494.30 g/mol
LogP4.55
Rot. Bonds6

About 4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide

4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide (PubChem CID 1237508) has the molecular formula C19H13BrFN3O5S and a molecular weight of 494.30 g/mol. Its IUPAC name is 4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide
PubChem CID1237508
Molecular FormulaC19H13BrFN3O5S
Molecular Weight494.30 g/mol
Exact Mass492.97
IUPAC Name4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H13BrFN3O5S/c20-17-9-4-12(19(25)22-15-2-1-3-16(11-15)24(26)27)10-18(17)30(28,29)23-14-7-5-13(21)6-8-14/h1-11,23H,(H,22,25)
InChIKeySLZJHYBHDDKEHS-UHFFFAOYSA-N
XLogP4.55
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.30
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3-nitrophenyl)acetamide
CID 26561646
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
4-bromo-3-(4-methylpiperidin-1-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 1310346
4-bromo-3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-nitrophenyl)benzamide
CID 1330759
2-bromo-N-(3-nitrophenyl)benzenesulfonamide
CID 26952317
2-(4-fluorophenyl)-N-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9410846
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-nitrophenyl)benzamide
CID 126416054
3-[(2-bromo-5-nitrophenyl)sulfonylamino]-N-cyclopropylbenzamide
CID 71871638
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 29200413
4-methoxy-3-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 40742222

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide (CID 1237508) is 4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide?
The InChIKey is SLZJHYBHDDKEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrFN3O5S/c20-17-9-4-12(19(25)22-15-2-1-3-16(11-15)24(26)27)10-18(17)30(28,29)23-14-7-5-13(21)6-8-14/h1-11,23H,(H,22,25).
What are the key properties of 4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide?
4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide has a molecular weight of 494.30 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(4-fluorophenyl)sulfamoyl]-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 1237508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).