5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide

C17H19BrFN3O3S — CID 30969614

IUPAC5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C17H19BrFN3O3S/c1-21(2)16-8-6-12(26(24,25)22(3)4)10-15(16)20-17(23)13-9-11(18)5-7-14(13)19/h5-10H,1-4H3,(H,20,23)
InChIKeyZDNMFSZGIMKHKW-UHFFFAOYSA-N
MW444.33 g/mol
LogP3.16
Rot. Bonds5

About 5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide

5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide (PubChem CID 30969614) has the molecular formula C17H19BrFN3O3S and a molecular weight of 444.33 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
PubChem CID30969614
Molecular FormulaC17H19BrFN3O3S
Molecular Weight444.33 g/mol
Exact Mass443.03
IUPAC Name5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C17H19BrFN3O3S/c1-21(2)16-8-6-12(26(24,25)22(3)4)10-15(16)20-17(23)13-9-11(18)5-7-14(13)19/h5-10H,1-4H3,(H,20,23)
InChIKeyZDNMFSZGIMKHKW-UHFFFAOYSA-N
XLogP3.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223
2-(4-bromophenyl)sulfanyl-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]acetamide
CID 25343529
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 31894215
5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 134026070
N-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-5-chloro-2-fluorobenzamide
CID 25335972
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide
CID 110166676
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]-4-fluorobenzamide
CID 63110560
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 95781104
4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
CID 63526166
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
CID 61213111

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide (CID 30969614) is 5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide is CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide?
The InChIKey is ZDNMFSZGIMKHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN3O3S/c1-21(2)16-8-6-12(26(24,25)22(3)4)10-15(16)20-17(23)13-9-11(18)5-7-14(13)19/h5-10H,1-4H3,(H,20,23).
What are the key properties of 5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide?
5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide has a molecular weight of 444.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 30969614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).