N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide

C14H16N2O2S2 — CID 75510344

IUPACN-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nc2c(s1)CC(c1ccccc1)CC2
InChIInChI=1S/C14H16N2O2S2/c1-20(17,18)16-14-15-12-8-7-11(9-13(12)19-14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16)
InChIKeyKJSZAXXSFMTEGI-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.79
Rot. Bonds3

About N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide

N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide (PubChem CID 75510344) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide
PubChem CID75510344
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC NameN-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nc2c(s1)CC(c1ccccc1)CC2
InChIInChI=1S/C14H16N2O2S2/c1-20(17,18)16-14-15-12-8-7-11(9-13(12)19-14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16)
InChIKeyKJSZAXXSFMTEGI-UHFFFAOYSA-N
XLogP2.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide?
The IUPAC name of N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide (CID 75510344) is N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide.
What is the SMILES notation for N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide?
The canonical SMILES for N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide is CS(=O)(=O)Nc1nc2c(s1)CC(c1ccccc1)CC2.
What is the InChIKey of N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide?
The InChIKey is KJSZAXXSFMTEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-20(17,18)16-14-15-12-8-7-11(9-13(12)19-14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,16).
What are the key properties of N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide?
N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide has a molecular weight of 308.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 75510344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).