2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide

C14H8Cl2N2OS2 — CID 107020050

IUPAC2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cc(S)ccc1Cl
InChIInChI=1S/C14H8Cl2N2OS2/c15-7-1-4-11-12(5-7)21-14(17-11)18-13(19)9-6-8(20)2-3-10(9)16/h1-6,20H,(H,17,18,19)
InChIKeyRLWWMRROEMPHDF-UHFFFAOYSA-N
MW355.27 g/mol
LogP5.14
Rot. Bonds2

About 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide

2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide (PubChem CID 107020050) has the molecular formula C14H8Cl2N2OS2 and a molecular weight of 355.27 g/mol. Its IUPAC name is 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
PubChem CID107020050
Molecular FormulaC14H8Cl2N2OS2
Molecular Weight355.27 g/mol
Exact Mass353.95
IUPAC Name2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cc(S)ccc1Cl
InChIInChI=1S/C14H8Cl2N2OS2/c15-7-1-4-11-12(5-7)21-14(17-11)18-13(19)9-6-8(20)2-3-10(9)16/h1-6,20H,(H,17,18,19)
InChIKeyRLWWMRROEMPHDF-UHFFFAOYSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.27
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
2,5-dichloro-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5082587
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107020051
N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide
CID 107021686
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107024982
2,5-dichloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)benzamide
CID 7202838
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 29277984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide (CID 107020050) is 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(S)ccc1Cl.
What is the InChIKey of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide?
The InChIKey is RLWWMRROEMPHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS2/c15-7-1-4-11-12(5-7)21-14(17-11)18-13(19)9-6-8(20)2-3-10(9)16/h1-6,20H,(H,17,18,19).
What are the key properties of 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide?
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide has a molecular weight of 355.27 g/mol, XLogP of 5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide is sourced from PubChem (CID 107020050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).