N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide

C25H19N3O4S2 — CID 121043145

IUPACN-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc4ccc5ccccc5c4s3)c2)cc1
InChIInChI=1S/C25H19N3O4S2/c1-32-19-10-12-20(13-11-19)34(30,31)28-18-7-4-6-17(15-18)24(29)27-25-26-22-14-9-16-5-2-3-8-21(16)23(22)33-25/h2-15,28H,1H3,(H,26,27,29)
InChIKeyKISBDOIFNJOOST-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.51
Rot. Bonds6

About N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide

N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 121043145) has the molecular formula C25H19N3O4S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID121043145
Molecular FormulaC25H19N3O4S2
Molecular Weight489.58 g/mol
Exact Mass489.08
IUPAC NameN-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc4ccc5ccccc5c4s3)c2)cc1
InChIInChI=1S/C25H19N3O4S2/c1-32-19-10-12-20(13-11-19)34(30,31)28-18-7-4-6-17(15-18)24(29)27-25-26-22-14-9-16-5-2-3-8-21(16)23(22)33-25/h2-15,28H,1H3,(H,26,27,29)
InChIKeyKISBDOIFNJOOST-UHFFFAOYSA-N
XLogP5.51
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide with MolForge

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Related Compounds

N-(4,5-diphenyl-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043163
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide
CID 7565732
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043147
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
3-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 121042350
3-(benzenesulfonamido)-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41018251
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043159
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043156
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)sulfonylamino]benzamide
CID 41018254
4-[(4-methoxyphenyl)sulfonylamino]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 121045218
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945

Frequently Asked Questions

What is the IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 121043145) is N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc4ccc5ccccc5c4s3)c2)cc1.
What is the InChIKey of N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is KISBDOIFNJOOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4S2/c1-32-19-10-12-20(13-11-19)34(30,31)28-18-7-4-6-17(15-18)24(29)27-25-26-22-14-9-16-5-2-3-8-21(16)23(22)33-25/h2-15,28H,1H3,(H,26,27,29).
What are the key properties of N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide has a molecular weight of 489.58 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g][1,3]benzothiazol-2-yl-3-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121043145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).