4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C21H17N3O3S2 — CID 24636272

IUPAC4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2s1
InChIInChI=1S/C21H17N3O3S2/c1-14-22-19-12-11-17(13-20(19)28-14)23-21(25)15-7-9-16(10-8-15)24-29(26,27)18-5-3-2-4-6-18/h2-13,24H,1H3,(H,23,25)
InChIKeySQQFZEPIDYBSNQ-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.66
Rot. Bonds5

About 4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 24636272) has the molecular formula C21H17N3O3S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID24636272
Molecular FormulaC21H17N3O3S2
Molecular Weight423.52 g/mol
Exact Mass423.07
IUPAC Name4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2s1
InChIInChI=1S/C21H17N3O3S2/c1-14-22-19-12-11-17(13-20(19)28-14)23-21(25)15-7-9-16(10-8-15)24-29(26,27)18-5-3-2-4-6-18/h2-13,24H,1H3,(H,23,25)
InChIKeySQQFZEPIDYBSNQ-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

Analyze 4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-4-methylbenzamide
CID 46291240
N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 16803037
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfonylbenzenesulfonamide
CID 46534623
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 55350812
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
N-[5-(benzenesulfonamido)-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46379293
1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3-chloro-4-methylphenyl)urea
CID 46382550
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4844842
4-(1,3-dithiolan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 4822322
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 24636272) is 4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1nc2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2s1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is SQQFZEPIDYBSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S2/c1-14-22-19-12-11-17(13-20(19)28-14)23-21(25)15-7-9-16(10-8-15)24-29(26,27)18-5-3-2-4-6-18/h2-13,24H,1H3,(H,23,25).
What are the key properties of 4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide 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 4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 24636272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).