N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide

C15H20BrFN2O3S — CID 1021972

IUPACN-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)C1CCCCC1
InChIInChI=1S/C15H20BrFN2O3S/c1-23(21,22)19(12-5-3-2-4-6-12)10-15(20)18-14-8-7-11(16)9-13(14)17/h7-9,12H,2-6,10H2,1H3,(H,18,20)
InChIKeyZAGPWWAELUDASE-UHFFFAOYSA-N
MW407.31 g/mol
LogP3.12
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide

N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide (PubChem CID 1021972) has the molecular formula C15H20BrFN2O3S and a molecular weight of 407.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
PubChem CID1021972
Molecular FormulaC15H20BrFN2O3S
Molecular Weight407.31 g/mol
Exact Mass406.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)C1CCCCC1
InChIInChI=1S/C15H20BrFN2O3S/c1-23(21,22)19(12-5-3-2-4-6-12)10-15(20)18-14-8-7-11(16)9-13(14)17/h7-9,12H,2-6,10H2,1H3,(H,18,20)
InChIKeyZAGPWWAELUDASE-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide (CID 1021972) is N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)C1CCCCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The InChIKey is ZAGPWWAELUDASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2O3S/c1-23(21,22)19(12-5-3-2-4-6-12)10-15(20)18-14-8-7-11(16)9-13(14)17/h7-9,12H,2-6,10H2,1H3,(H,18,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide has a molecular weight of 407.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 1021972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).