N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide

C15H14BrFN2O3S — CID 1349692

IUPACN-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccccc1F
InChIInChI=1S/C15H14BrFN2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyCTHWWGDUPNAQSZ-UHFFFAOYSA-N
MW401.26 g/mol
LogP2.99
Rot. Bonds5

About N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide

N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 1349692) has the molecular formula C15H14BrFN2O3S and a molecular weight of 401.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID1349692
Molecular FormulaC15H14BrFN2O3S
Molecular Weight401.26 g/mol
Exact Mass399.99
IUPAC NameN-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccccc1F
InChIInChI=1S/C15H14BrFN2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)
InChIKeyCTHWWGDUPNAQSZ-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide (CID 1349692) is N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1ccccc1F.
What is the InChIKey of N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is CTHWWGDUPNAQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 401.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1349692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).