2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline

C12H16F2N2O4S2 — CID 133300118

IUPAC2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline
SMILESO=S(=O)(c1ccccc1NCCN1CCCS1(=O)=O)C(F)F
InChIInChI=1S/C12H16F2N2O4S2/c13-12(14)22(19,20)11-5-2-1-4-10(11)15-6-8-16-7-3-9-21(16,17)18/h1-2,4-5,12,15H,3,6-9H2
InChIKeyJBMBOOGVLIVDKF-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.13
Rot. Bonds6

About 2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline

2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline (PubChem CID 133300118) has the molecular formula C12H16F2N2O4S2 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline
PubChem CID133300118
Molecular FormulaC12H16F2N2O4S2
Molecular Weight354.40 g/mol
Exact Mass354.05
IUPAC Name2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline
SMILESO=S(=O)(c1ccccc1NCCN1CCCS1(=O)=O)C(F)F
InChIInChI=1S/C12H16F2N2O4S2/c13-12(14)22(19,20)11-5-2-1-4-10(11)15-6-8-16-7-3-9-21(16,17)18/h1-2,4-5,12,15H,3,6-9H2
InChIKeyJBMBOOGVLIVDKF-UHFFFAOYSA-N
XLogP1.13
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline (CID 133300118) is 2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline is O=S(=O)(c1ccccc1NCCN1CCCS1(=O)=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline?
The InChIKey is JBMBOOGVLIVDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O4S2/c13-12(14)22(19,20)11-5-2-1-4-10(11)15-6-8-16-7-3-9-21(16,17)18/h1-2,4-5,12,15H,3,6-9H2.
What are the key properties of 2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline?
2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline has a molecular weight of 354.40 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]aniline is sourced from PubChem (CID 133300118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).