N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide

C16H12F3N3O3S2 — CID 141164540

IUPACN-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2s1
InChIInChI=1S/C16H12F3N3O3S2/c1-9(23)20-15-21-13-7-6-12(8-14(13)26-15)27(24,25)22-11-4-2-10(3-5-11)16(17,18)19/h2-8,22H,1H3,(H,20,21,23)
InChIKeyUCOVWSZDIQTMOK-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.07
Rot. Bonds4

About N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide

N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide (PubChem CID 141164540) has the molecular formula C16H12F3N3O3S2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide
PubChem CID141164540
Molecular FormulaC16H12F3N3O3S2
Molecular Weight415.42 g/mol
Exact Mass415.03
IUPAC NameN-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2s1
InChIInChI=1S/C16H12F3N3O3S2/c1-9(23)20-15-21-13-7-6-12(8-14(13)26-15)27(24,25)22-11-4-2-10(3-5-11)16(17,18)19/h2-8,22H,1H3,(H,20,21,23)
InChIKeyUCOVWSZDIQTMOK-UHFFFAOYSA-N
XLogP4.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971880
N-[6-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325489
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 2374848
N-[6-[3-[(4-tert-butylphenyl)sulfonylamino]-4-methylphenyl]-1,3-benzothiazol-2-yl]acetamide
CID 89423683
4-[(4-methoxyphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 121045218
2-(4-ethylsulfonylphenyl)-N-[2-[4-(trifluoromethyl)anilino]-1,3-benzothiazol-6-yl]acetamide
CID 175425282
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24564520
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
CID 20971886
4-[(4-fluorophenyl)sulfonylamino]-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 121044601
N-[4-[(5,6-difluoro-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 25041063
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344302
1-methyl-3-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]urea
CID 146255562

Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide (CID 141164540) is N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2s1.
What is the InChIKey of N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is UCOVWSZDIQTMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3S2/c1-9(23)20-15-21-13-7-6-12(8-14(13)26-15)27(24,25)22-11-4-2-10(3-5-11)16(17,18)19/h2-8,22H,1H3,(H,20,21,23).
What are the key properties of N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide?
N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 415.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-(trifluoromethyl)phenyl]sulfamoyl]-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 141164540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).