4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide

C20H15N3O5S3 — CID 142784637

IUPAC4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide
SMILESNC(=O)c1ccc(-c2nc3ccccc3s2)c(S(=O)(=O)c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C20H15N3O5S3/c21-19(24)12-9-10-13(20-23-14-5-1-2-6-15(14)29-20)18(11-12)30(25,26)16-7-3-4-8-17(16)31(22,27)28/h1-11H,(H2,21,24)(H2,22,27,28)
InChIKeyHWFHIUKSGMAYJH-UHFFFAOYSA-N
MW473.56 g/mol
LogP2.54
Rot. Bonds5

About 4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide

4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide (PubChem CID 142784637) has the molecular formula C20H15N3O5S3 and a molecular weight of 473.56 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide
PubChem CID142784637
Molecular FormulaC20H15N3O5S3
Molecular Weight473.56 g/mol
Exact Mass473.02
IUPAC Name4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide
SMILESNC(=O)c1ccc(-c2nc3ccccc3s2)c(S(=O)(=O)c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C20H15N3O5S3/c21-19(24)12-9-10-13(20-23-14-5-1-2-6-15(14)29-20)18(11-12)30(25,26)16-7-3-4-8-17(16)31(22,27)28/h1-11H,(H2,21,24)(H2,22,27,28)
InChIKeyHWFHIUKSGMAYJH-UHFFFAOYSA-N
XLogP2.54
TPSA150.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,3-benzothiazol-2-yl)-1-benzothiophene-5-carboxamide
CID 146346348
4-(1,3-benzothiazol-2-yl)benzamide
CID 28689293
3-(1,3-benzothiazol-2-yl)-4-hydroxybenzoic acid
CID 141481149
5-(1,3-benzothiazol-2-yl)-2-sulfamoylbenzoic acid
CID 70538450
2-[2-[[2-(1,3-benzothiazol-2-yl)phenyl]sulfonyl-diazomethyl]sulfonylphenyl]-1,3-benzothiazole
CID 19931640
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
CID 1104009
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 3839053
3-(1,3-benzothiazol-2-ylamino)benzamide
CID 103602868
[2-(1,3-benzothiazol-2-yl)phenyl] naphthalene-2-carboxylate
CID 7936337
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-3,4-dimethoxybenzamide
CID 1363526
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 2489345
1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea
CID 165368097

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide (CID 142784637) is 4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide is NC(=O)c1ccc(-c2nc3ccccc3s2)c(S(=O)(=O)c2ccccc2S(N)(=O)=O)c1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide?
The InChIKey is HWFHIUKSGMAYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5S3/c21-19(24)12-9-10-13(20-23-14-5-1-2-6-15(14)29-20)18(11-12)30(25,26)16-7-3-4-8-17(16)31(22,27)28/h1-11H,(H2,21,24)(H2,22,27,28).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide?
4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide has a molecular weight of 473.56 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)sulfonylbenzamide is sourced from PubChem (CID 142784637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).