2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide

C15H13N3O3S3 — CID 7254675

IUPAC2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1ccc2nc(NC(=O)CSc3ccccc3)sc2c1
InChIInChI=1S/C15H13N3O3S3/c16-24(20,21)11-6-7-12-13(8-11)23-15(17-12)18-14(19)9-22-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,20,21)(H,17,18,19)
InChIKeyZJODIKGEGTWHRO-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.67
Rot. Bonds5

About 2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide

2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 7254675) has the molecular formula C15H13N3O3S3 and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID7254675
Molecular FormulaC15H13N3O3S3
Molecular Weight379.49 g/mol
Exact Mass379.01
IUPAC Name2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1ccc2nc(NC(=O)CSc3ccccc3)sc2c1
InChIInChI=1S/C15H13N3O3S3/c16-24(20,21)11-6-7-12-13(8-11)23-15(17-12)18-14(19)9-22-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,20,21)(H,17,18,19)
InChIKeyZJODIKGEGTWHRO-UHFFFAOYSA-N
XLogP2.67
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2349260
2-(4-chlorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 7254630
N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-2-phenylsulfanylacetamide
CID 20930931
3-(4-methylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 16805736
N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590379
(2R)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 2138821
2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 23611468
(2S)-2-phenoxy-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 2138822
2-[(4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 122363071
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-3,3-diphenylpropanamide
CID 3339715
(3R)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1164537
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 4080204

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide (CID 7254675) is 2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide is NS(=O)(=O)c1ccc2nc(NC(=O)CSc3ccccc3)sc2c1.
What is the InChIKey of 2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ZJODIKGEGTWHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S3/c16-24(20,21)11-6-7-12-13(8-11)23-15(17-12)18-14(19)9-22-10-4-2-1-3-5-10/h1-8H,9H2,(H2,16,20,21)(H,17,18,19).
What are the key properties of 2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 379.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 7254675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).