2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide

C14H14F2N2O2S2 — CID 22201648

IUPAC2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESCC1CCc2nc(NS(=O)(=O)c3cc(F)ccc3F)sc2C1
InChIInChI=1S/C14H14F2N2O2S2/c1-8-2-5-11-12(6-8)21-14(17-11)18-22(19,20)13-7-9(15)3-4-10(13)16/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)
InChIKeyYKXIHAZDGMKFFF-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.35
Rot. Bonds3

About 2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide

2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide (PubChem CID 22201648) has the molecular formula C14H14F2N2O2S2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
PubChem CID22201648
Molecular FormulaC14H14F2N2O2S2
Molecular Weight344.41 g/mol
Exact Mass344.05
IUPAC Name2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESCC1CCc2nc(NS(=O)(=O)c3cc(F)ccc3F)sc2C1
InChIInChI=1S/C14H14F2N2O2S2/c1-8-2-5-11-12(6-8)21-14(17-11)18-22(19,20)13-7-9(15)3-4-10(13)16/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)
InChIKeyYKXIHAZDGMKFFF-UHFFFAOYSA-N
XLogP3.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide (CID 22201648) is 2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide is CC1CCc2nc(NS(=O)(=O)c3cc(F)ccc3F)sc2C1.
What is the InChIKey of 2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
The InChIKey is YKXIHAZDGMKFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S2/c1-8-2-5-11-12(6-8)21-14(17-11)18-22(19,20)13-7-9(15)3-4-10(13)16/h3-4,7-8H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide?
2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide has a molecular weight of 344.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 22201648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).