N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide

C17H14F2N2O3S2 — CID 18193276

IUPACN-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C17H14F2N2O3S2/c1-2-21(17-20-13-5-3-4-6-14(13)25-17)15(22)11-7-9-12(10-8-11)26(23,24)16(18)19/h3-10,16H,2H2,1H3
InChIKeyQIFIUHNQOROSAW-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.96
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide

N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide (PubChem CID 18193276) has the molecular formula C17H14F2N2O3S2 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide
PubChem CID18193276
Molecular FormulaC17H14F2N2O3S2
Molecular Weight396.44 g/mol
Exact Mass396.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1nc2ccccc2s1
InChIInChI=1S/C17H14F2N2O3S2/c1-2-21(17-20-13-5-3-4-6-14(13)25-17)15(22)11-7-9-12(10-8-11)26(23,24)16(18)19/h3-10,16H,2H2,1H3
InChIKeyQIFIUHNQOROSAW-UHFFFAOYSA-N
XLogP3.96
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-ethyl-4-(propan-2-ylsulfamoyl)benzamide
CID 16600618
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34189725
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-methylsulfonylbenzamide;hydrochloride
CID 44927861
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993650
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide
CID 41109487
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)benzamide;hydrochloride
CID 44922718
N-(1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 41149119
N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 16559857
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methylsulfonylbenzamide
CID 7580125
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567700
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
CID 34189654

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide (CID 18193276) is N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide is CCN(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide?
The InChIKey is QIFIUHNQOROSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S2/c1-2-21(17-20-13-5-3-4-6-14(13)25-17)15(22)11-7-9-12(10-8-11)26(23,24)16(18)19/h3-10,16H,2H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide?
N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide has a molecular weight of 396.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(difluoromethylsulfonyl)-N-ethylbenzamide is sourced from PubChem (CID 18193276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).