N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

C13H8F2N2O2S3 — CID 2810749

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccs1
InChIInChI=1S/C13H8F2N2O2S3/c14-9-4-3-8(6-10(9)15)11-7-21-13(16-11)17-22(18,19)12-2-1-5-20-12/h1-7H,(H,16,17)
InChIKeyXYNAZVCYZMLOLG-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.95
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 2810749) has the molecular formula C13H8F2N2O2S3 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
PubChem CID2810749
Molecular FormulaC13H8F2N2O2S3
Molecular Weight358.42 g/mol
Exact Mass357.97
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccs1
InChIInChI=1S/C13H8F2N2O2S3/c14-9-4-3-8(6-10(9)15)11-7-21-13(16-11)17-22(18,19)12-2-1-5-20-12/h1-7H,(H,16,17)
InChIKeyXYNAZVCYZMLOLG-UHFFFAOYSA-N
XLogP3.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (CID 2810749) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is XYNAZVCYZMLOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S3/c14-9-4-3-8(6-10(9)15)11-7-21-13(16-11)17-22(18,19)12-2-1-5-20-12/h1-7H,(H,16,17).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2810749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).