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

C21H16ClN3O3S2 — CID 121041666

IUPAC3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc(Cl)cc2sc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc12
InChIInChI=1S/C21H16ClN3O3S2/c1-13-10-15(22)12-18-19(13)23-21(29-18)24-20(26)14-6-5-7-16(11-14)25-30(27,28)17-8-3-2-4-9-17/h2-12,25H,1H3,(H,23,24,26)
InChIKeyQRLMFECEZBUJOM-UHFFFAOYSA-N
MW457.96 g/mol
LogP5.31
Rot. Bonds5

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

3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 121041666) has the molecular formula C21H16ClN3O3S2 and a molecular weight of 457.96 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID121041666
Molecular FormulaC21H16ClN3O3S2
Molecular Weight457.96 g/mol
Exact Mass457.03
IUPAC Name3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc(Cl)cc2sc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc12
InChIInChI=1S/C21H16ClN3O3S2/c1-13-10-15(22)12-18-19(13)23-21(29-18)24-20(26)14-6-5-7-16(11-14)25-30(27,28)17-8-3-2-4-9-17/h2-12,25H,1H3,(H,23,24,26)
InChIKeyQRLMFECEZBUJOM-UHFFFAOYSA-N
XLogP5.31
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.96
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-(3-chlorophenyl)urea
CID 46382575
3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018251
N-[6-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide
CID 46325634
3-[(4-chlorophenyl)sulfonylamino]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 121042912
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
3-(benzenesulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24686775
3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 42387615
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291220
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121042716
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
CID 41018254
3-(benzenesulfonamido)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 7541935

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 121041666) is 3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1cc(Cl)cc2sc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc12.
What is the InChIKey of 3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is QRLMFECEZBUJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S2/c1-13-10-15(22)12-18-19(13)23-21(29-18)24-20(26)14-6-5-7-16(11-14)25-30(27,28)17-8-3-2-4-9-17/h2-12,25H,1H3,(H,23,24,26).
What are the key properties of 3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 457.96 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 121041666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).