N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

C25H24FN3O3S2 — CID 41110417

IUPACN-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C25H24FN3O3S2/c1-3-28(4-2)34(31,32)21-13-10-19(11-14-21)24(30)29(17-18-8-6-5-7-9-18)25-27-22-15-12-20(26)16-23(22)33-25/h5-16H,3-4,17H2,1-2H3
InChIKeyXUZMJZOMYIGHAU-UHFFFAOYSA-N
MW497.62 g/mol
LogP5.31
Rot. Bonds8

About N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41110417) has the molecular formula C25H24FN3O3S2 and a molecular weight of 497.62 g/mol. Its IUPAC name is N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID41110417
Molecular FormulaC25H24FN3O3S2
Molecular Weight497.62 g/mol
Exact Mass497.12
IUPAC NameN-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C25H24FN3O3S2/c1-3-28(4-2)34(31,32)21-13-10-19(11-14-21)24(30)29(17-18-8-6-5-7-9-18)25-27-22-15-12-20(26)16-23(22)33-25/h5-16H,3-4,17H2,1-2H3
InChIKeyXUZMJZOMYIGHAU-UHFFFAOYSA-N
XLogP5.31
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949188
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(diethylsulfamoyl)benzamide
CID 41109487
N-benzyl-4-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110277
N-benzyl-4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 41110554
4-(dipropylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983063
4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43965900
4-[benzyl(ethyl)sulfamoyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43965845
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 162380230
4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44943213
N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 41364379
4-[benzyl(ethyl)sulfamoyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949161
4-[butyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44929857

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 41110417) is N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(F)cc3s2)cc1.
What is the InChIKey of N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is XUZMJZOMYIGHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S2/c1-3-28(4-2)34(31,32)21-13-10-19(11-14-21)24(30)29(17-18-8-6-5-7-9-18)25-27-22-15-12-20(26)16-23(22)33-25/h5-16H,3-4,17H2,1-2H3.
What are the key properties of N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 497.62 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41110417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).