3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride

C12H12Cl3N3O2S2 — CID 87714637

IUPAC3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1nc2c(s1)CNCC2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H11Cl2N3O2S2.ClH/c13-7-3-8(14)5-9(4-7)21(18,19)17-12-16-10-1-2-15-6-11(10)20-12;/h3-5,15H,1-2,6H2,(H,16,17);1H
InChIKeyRLXCVUUJSAIQFI-UHFFFAOYSA-N
MW400.74 g/mol
LogP3.32
Rot. Bonds3

About 3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride

3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride (PubChem CID 87714637) has the molecular formula C12H12Cl3N3O2S2 and a molecular weight of 400.74 g/mol. Its IUPAC name is 3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride
PubChem CID87714637
Molecular FormulaC12H12Cl3N3O2S2
Molecular Weight400.74 g/mol
Exact Mass398.94
IUPAC Name3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1nc2c(s1)CNCC2)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H11Cl2N3O2S2.ClH/c13-7-3-8(14)5-9(4-7)21(18,19)17-12-16-10-1-2-15-6-11(10)20-12;/h3-5,15H,1-2,6H2,(H,16,17);1H
InChIKeyRLXCVUUJSAIQFI-UHFFFAOYSA-N
XLogP3.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.74
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride (CID 87714637) is 3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(Nc1nc2c(s1)CNCC2)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride?
The InChIKey is RLXCVUUJSAIQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S2.ClH/c13-7-3-8(14)5-9(4-7)21(18,19)17-12-16-10-1-2-15-6-11(10)20-12;/h3-5,15H,1-2,6H2,(H,16,17);1H.
What are the key properties of 3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride?
3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride has a molecular weight of 400.74 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 87714637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).