4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide

C20H21F2N3O3S2 — CID 5112689

IUPAC4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)cc(F)c3n2CC)cc1
InChIInChI=1S/C20H21F2N3O3S2/c1-4-24(5-2)30(27,28)15-9-7-13(8-10-15)19(26)23-20-25(6-3)18-16(22)11-14(21)12-17(18)29-20/h7-12H,4-6H2,1-3H3/b23-20-
InChIKeyXAOLPPDOQAAZBS-ATJXCDBQSA-N
MW453.54 g/mol
LogP3.77
Rot. Bonds6

About 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide

4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 5112689) has the molecular formula C20H21F2N3O3S2 and a molecular weight of 453.54 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID5112689
Molecular FormulaC20H21F2N3O3S2
Molecular Weight453.54 g/mol
Exact Mass453.10
IUPAC Name4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)cc(F)c3n2CC)cc1
InChIInChI=1S/C20H21F2N3O3S2/c1-4-24(5-2)30(27,28)15-9-7-13(8-10-15)19(26)23-20-25(6-3)18-16(22)11-14(21)12-17(18)29-20/h7-12H,4-6H2,1-3H3/b23-20-
InChIKeyXAOLPPDOQAAZBS-ATJXCDBQSA-N
XLogP3.77
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-(3-ethyl-4,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43946630
4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3491430
N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide
CID 4189274
4-[bis(prop-2-enyl)sulfamoyl]-N-(4,6-difluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4612435
4-(dibutylsulfamoyl)-N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]benzamide
CID 3432500
4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 2151067
N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4119245
ethyl 2-[2-[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]imino-4,6-difluoro-1,3-benzothiazol-3-yl]acetate
CID 5180068
4-(diethylsulfamoyl)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41149378
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 42126702
4-(diethylsulfamoyl)-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047893
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5087246

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide (CID 5112689) is 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(F)cc(F)c3n2CC)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is XAOLPPDOQAAZBS-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H21F2N3O3S2/c1-4-24(5-2)30(27,28)15-9-7-13(8-10-15)19(26)23-20-25(6-3)18-16(22)11-14(21)12-17(18)29-20/h7-12H,4-6H2,1-3H3/b23-20-.
What are the key properties of 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide?
4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 453.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 5112689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).