N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide

C19H19N3O2S2 — CID 97061529

IUPACN-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide
SMILESCN(c1nc2c(s1)C[C@H](c1ccccc1)CC2)S(=O)(=O)c1cccnc1
InChIInChI=1S/C19H19N3O2S2/c1-22(26(23,24)16-8-5-11-20-13-16)19-21-17-10-9-15(12-18(17)25-19)14-6-3-2-4-7-14/h2-8,11,13,15H,9-10,12H2,1H3/t15-/m1/s1
InChIKeyYADROQJORDHEII-OAHLLOKOSA-N
MW385.51 g/mol
LogP3.64
Rot. Bonds4

About N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide

N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide (PubChem CID 97061529) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide
PubChem CID97061529
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide
SMILESCN(c1nc2c(s1)C[C@H](c1ccccc1)CC2)S(=O)(=O)c1cccnc1
InChIInChI=1S/C19H19N3O2S2/c1-22(26(23,24)16-8-5-11-20-13-16)19-21-17-10-9-15(12-18(17)25-19)14-6-3-2-4-7-14/h2-8,11,13,15H,9-10,12H2,1H3/t15-/m1/s1
InChIKeyYADROQJORDHEII-OAHLLOKOSA-N
XLogP3.64
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide (CID 97061529) is N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide is CN(c1nc2c(s1)C[C@H](c1ccccc1)CC2)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide?
The InChIKey is YADROQJORDHEII-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-22(26(23,24)16-8-5-11-20-13-16)19-21-17-10-9-15(12-18(17)25-19)14-6-3-2-4-7-14/h2-8,11,13,15H,9-10,12H2,1H3/t15-/m1/s1.
What are the key properties of N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide?
N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide has a molecular weight of 385.51 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6R)-6-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 97061529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).