2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide

C15H12BrF2NO3S2 — CID 42041858

IUPAC2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1Br)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H12BrF2NO3S2/c16-12-3-1-2-4-13(12)23-9-14(20)19-10-5-7-11(8-6-10)24(21,22)15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyWFZXWXOEPOAJAZ-UHFFFAOYSA-N
MW436.30 g/mol
LogP4.18
Rot. Bonds6

About 2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide

2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide (PubChem CID 42041858) has the molecular formula C15H12BrF2NO3S2 and a molecular weight of 436.30 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
PubChem CID42041858
Molecular FormulaC15H12BrF2NO3S2
Molecular Weight436.30 g/mol
Exact Mass434.94
IUPAC Name2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1Br)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H12BrF2NO3S2/c16-12-3-1-2-4-13(12)23-9-14(20)19-10-5-7-11(8-6-10)24(21,22)15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyWFZXWXOEPOAJAZ-UHFFFAOYSA-N
XLogP4.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 27087506
2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 8503434
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 24601997
3-[4-(difluoromethylsulfonyl)anilino]-3-oxopropanoic acid
CID 62230790
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 46670372
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898139
N-[4-(difluoromethylsulfonyl)phenyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 24569165
N-[4-(difluoromethylsulfonyl)phenyl]-2-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24572341
N-[4-(difluoromethylsulfonyl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26898570
N-[(2-bromophenyl)methyl]-4-(difluoromethylsulfonyl)aniline
CID 43683883
N-[4-(difluoromethylsulfonyl)phenyl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 24571051

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide (CID 42041858) is 2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide is O=C(CSc1ccccc1Br)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
The InChIKey is WFZXWXOEPOAJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO3S2/c16-12-3-1-2-4-13(12)23-9-14(20)19-10-5-7-11(8-6-10)24(21,22)15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide?
2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide has a molecular weight of 436.30 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 42041858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).