3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide

C22H19N3O4S2 — CID 4800277

IUPAC3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)c1
InChIInChI=1S/C22H19N3O4S2/c1-25(2)31(27,28)18-10-6-7-15(13-18)21(26)24-22-23-19-12-11-17(14-20(19)30-22)29-16-8-4-3-5-9-16/h3-14H,1-2H3,(H,23,24,26)
InChIKeyUHCKHDNTFDPDIS-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.59
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide

3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 4800277) has the molecular formula C22H19N3O4S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID4800277
Molecular FormulaC22H19N3O4S2
Molecular Weight453.55 g/mol
Exact Mass453.08
IUPAC Name3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)c1
InChIInChI=1S/C22H19N3O4S2/c1-25(2)31(27,28)18-10-6-7-15(13-18)21(26)24-22-23-19-12-11-17(14-20(19)30-22)29-16-8-4-3-5-9-16/h3-14H,1-2H3,(H,23,24,26)
InChIKeyUHCKHDNTFDPDIS-UHFFFAOYSA-N
XLogP4.59
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948379
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5070509
N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 2090733
4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 8749066
N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide
CID 4075249
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7578979
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 7543008
3-methyl-4-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948430
3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]acetyl]-N,N-dimethylbenzenesulfonamide
CID 110828864
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2460785

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide (CID 4800277) is 3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is UHCKHDNTFDPDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S2/c1-25(2)31(27,28)18-10-6-7-15(13-18)21(26)24-22-23-19-12-11-17(14-20(19)30-22)29-16-8-4-3-5-9-16/h3-14H,1-2H3,(H,23,24,26).
What are the key properties of 3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide?
3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 453.55 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4800277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).