2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C16H16F2N2O3S2 — CID 9046240

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O3S2/c17-12-3-6-15(14(18)9-12)24-10-16(21)20-8-7-11-1-4-13(5-2-11)25(19,22)23/h1-6,9H,7-8,10H2,(H,20,21)(H2,19,22,23)
InChIKeyVXIASPYINMWNSV-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.06
Rot. Bonds7

About 2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 9046240) has the molecular formula C16H16F2N2O3S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID9046240
Molecular FormulaC16H16F2N2O3S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O3S2/c17-12-3-6-15(14(18)9-12)24-10-16(21)20-8-7-11-1-4-13(5-2-11)25(19,22)23/h1-6,9H,7-8,10H2,(H,20,21)(H2,19,22,23)
InChIKeyVXIASPYINMWNSV-UHFFFAOYSA-N
XLogP2.06
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 99152330
2-(2,4-difluorophenyl)sulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8633334
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
CID 2103334
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30474620
2-(2-aminoethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84557592
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 26423929
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-(2,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 27640834
(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 8740673
2-(3-methoxyphenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 35040882
5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 45493285
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 9046240) is 2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is VXIASPYINMWNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S2/c17-12-3-6-15(14(18)9-12)24-10-16(21)20-8-7-11-1-4-13(5-2-11)25(19,22)23/h1-6,9H,7-8,10H2,(H,20,21)(H2,19,22,23).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 9046240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).