N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide

C22H19N3O3S2 — CID 16803037

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4nc(C)sc4c3)c2)cc1
InChIInChI=1S/C22H19N3O3S2/c1-14-6-9-19(10-7-14)30(27,28)25-18-5-3-4-16(12-18)22(26)24-17-8-11-20-21(13-17)29-15(2)23-20/h3-13,25H,1-2H3,(H,24,26)
InChIKeyBBKPOOBXTWJXMJ-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.97
Rot. Bonds5

About N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide

N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 16803037) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID16803037
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4nc(C)sc4c3)c2)cc1
InChIInChI=1S/C22H19N3O3S2/c1-14-6-9-19(10-7-14)30(27,28)25-18-5-3-4-16(12-18)22(26)24-17-8-11-20-21(13-17)29-15(2)23-20/h3-13,25H,1-2H3,(H,24,26)
InChIKeyBBKPOOBXTWJXMJ-UHFFFAOYSA-N
XLogP4.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 24636272
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821
N-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-4-methylbenzamide
CID 46291240
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfonylbenzenesulfonamide
CID 46534623
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
1-(3-methylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382480
3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 92505181
N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126196449
3,5-dimethoxy-N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]benzamide
CID 46291148
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 16803037) is N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4nc(C)sc4c3)c2)cc1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is BBKPOOBXTWJXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c1-14-6-9-19(10-7-14)30(27,28)25-18-5-3-4-16(12-18)22(26)24-17-8-11-20-21(13-17)29-15(2)23-20/h3-13,25H,1-2H3,(H,24,26).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 437.55 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 16803037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).