N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide

C19H20FN3O3S2 — CID 34255200

IUPACN-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)c2nc3ccccc3s2)c1
InChIInChI=1S/C19H20FN3O3S2/c1-4-23(5-2)28(25,26)13-10-11-15(20)14(12-13)18(24)22(3)19-21-16-8-6-7-9-17(16)27-19/h6-12H,4-5H2,1-3H3
InChIKeyRLIOSGUFTCRPHU-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.74
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide

N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide (PubChem CID 34255200) has the molecular formula C19H20FN3O3S2 and a molecular weight of 421.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
PubChem CID34255200
Molecular FormulaC19H20FN3O3S2
Molecular Weight421.52 g/mol
Exact Mass421.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)c2nc3ccccc3s2)c1
InChIInChI=1S/C19H20FN3O3S2/c1-4-23(5-2)28(25,26)13-10-11-15(20)14(12-13)18(24)22(3)19-21-16-8-6-7-9-17(16)27-19/h6-12H,4-5H2,1-3H3
InChIKeyRLIOSGUFTCRPHU-UHFFFAOYSA-N
XLogP3.74
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide
CID 18193284
N-(1,3-benzothiazol-2-yl)-2-chloro-5-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 55545478
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
CID 41440134
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 51188228
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
5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 17411092
4-(1,3-benzothiazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 3582989
N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 55903058
N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide
CID 34247695
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
5-(diethylsulfamoyl)-2-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]benzamide
CID 39142258

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide (CID 34255200) is N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)c2nc3ccccc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide?
The InChIKey is RLIOSGUFTCRPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S2/c1-4-23(5-2)28(25,26)13-10-11-15(20)14(12-13)18(24)22(3)19-21-16-8-6-7-9-17(16)27-19/h6-12H,4-5H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide?
N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide has a molecular weight of 421.52 g/mol, XLogP of 3.74, 6 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)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 34255200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).