2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

C21H15F2N3O4S2 — CID 2374730

IUPAC2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)sc2c1
InChIInChI=1S/C21H15F2N3O4S2/c1-30-12-6-9-18-19(10-12)31-21(24-18)25-20(27)14-4-2-3-5-17(14)26-32(28,29)13-7-8-15(22)16(23)11-13/h2-11,26H,1H3,(H,24,25,27)
InChIKeyDUTLMQBIXDNXGV-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.64
Rot. Bonds6

About 2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide

2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 2374730) has the molecular formula C21H15F2N3O4S2 and a molecular weight of 475.50 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID2374730
Molecular FormulaC21H15F2N3O4S2
Molecular Weight475.50 g/mol
Exact Mass475.05
IUPAC Name2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1ccc2nc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)sc2c1
InChIInChI=1S/C21H15F2N3O4S2/c1-30-12-6-9-18-19(10-12)31-21(24-18)25-20(27)14-4-2-3-5-17(14)26-32(28,29)13-7-8-15(22)16(23)11-13/h2-11,26H,1H3,(H,24,25,27)
InChIKeyDUTLMQBIXDNXGV-UHFFFAOYSA-N
XLogP4.64
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzenecarboximidate
CID 2374729
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871469
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3432059
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 2480768
N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041301
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(propan-2-ylsulfamoyl)benzamide
CID 24568248
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041455
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344302
ethyl 2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1,3-benzothiazole-6-carboxylate
CID 5123894
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041363

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 2374730) is 2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is COc1ccc2nc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)sc2c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is DUTLMQBIXDNXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O4S2/c1-30-12-6-9-18-19(10-12)31-21(24-18)25-20(27)14-4-2-3-5-17(14)26-32(28,29)13-7-8-15(22)16(23)11-13/h2-11,26H,1H3,(H,24,25,27).
What are the key properties of 2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide?
2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 475.50 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 2374730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).