N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide

C21H17N3O3S2 — CID 46379293

IUPACN-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3s2)cc1
InChIInChI=1S/C21H17N3O3S2/c1-14-7-9-15(10-8-14)20(25)23-21-22-18-13-16(11-12-19(18)28-21)24-29(26,27)17-5-3-2-4-6-17/h2-13,24H,1H3,(H,22,23,25)
InChIKeyCKAIVBMCHADRSE-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.66
Rot. Bonds5

About N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide

N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide (PubChem CID 46379293) has the molecular formula C21H17N3O3S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide
PubChem CID46379293
Molecular FormulaC21H17N3O3S2
Molecular Weight423.52 g/mol
Exact Mass423.07
IUPAC NameN-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3s2)cc1
InChIInChI=1S/C21H17N3O3S2/c1-14-7-9-15(10-8-14)20(25)23-21-22-18-13-16(11-12-19(18)28-21)24-29(26,27)17-5-3-2-4-6-17/h2-13,24H,1H3,(H,22,23,25)
InChIKeyCKAIVBMCHADRSE-UHFFFAOYSA-N
XLogP4.66
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[5-[[4-(propanoylamino)phenyl]sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46379311
N-[5-[(2-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46379313
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]acetamide
CID 20971886
N-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-4-methylbenzamide
CID 46291240
N-[5-[(3-methylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971915
2-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-5-yl]benzamide
CID 46328829
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 24564520
N-[5-(butanoylamino)-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46328837
4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 24636272
N-[5-[(3-chlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971908
4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide
CID 46328836
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide (CID 46379293) is N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3s2)cc1.
What is the InChIKey of N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide?
The InChIKey is CKAIVBMCHADRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S2/c1-14-7-9-15(10-8-14)20(25)23-21-22-18-13-16(11-12-19(18)28-21)24-29(26,27)17-5-3-2-4-6-17/h2-13,24H,1H3,(H,22,23,25).
What are the key properties of N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide?
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide has a molecular weight of 423.52 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 46379293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).