4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide

C12H12F2N2O2S2 — CID 61299031

IUPAC4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(N)cs1)c1c(F)cccc1F
InChIInChI=1S/C12H12F2N2O2S2/c1-7(12-9(13)3-2-4-10(12)14)16-20(17,18)11-5-8(15)6-19-11/h2-7,16H,15H2,1H3
InChIKeyMZCMSNLNERYICO-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.65
Rot. Bonds4

About 4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide

4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 61299031) has the molecular formula C12H12F2N2O2S2 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID61299031
Molecular FormulaC12H12F2N2O2S2
Molecular Weight318.37 g/mol
Exact Mass318.03
IUPAC Name4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(N)cs1)c1c(F)cccc1F
InChIInChI=1S/C12H12F2N2O2S2/c1-7(12-9(13)3-2-4-10(12)14)16-20(17,18)11-5-8(15)6-19-11/h2-7,16H,15H2,1H3
InChIKeyMZCMSNLNERYICO-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide (CID 61299031) is 4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1cc(N)cs1)c1c(F)cccc1F.
What is the InChIKey of 4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is MZCMSNLNERYICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S2/c1-7(12-9(13)3-2-4-10(12)14)16-20(17,18)11-5-8(15)6-19-11/h2-7,16H,15H2,1H3.
What are the key properties of 4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide?
4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 318.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2,6-difluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61299031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).