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

C25H19N3O4S2 — CID 121041301

IUPACN-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1
InChIInChI=1S/C25H19N3O4S2/c1-32-17-11-13-18(14-12-17)34(30,31)28-21-9-5-4-8-20(21)24(29)27-25-26-23-19-7-3-2-6-16(19)10-15-22(23)33-25/h2-15,28H,1H3,(H,26,27,29)
InChIKeyNCNGEVVVFKFPBE-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.51
Rot. Bonds6

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

N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 121041301) has the molecular formula C25H19N3O4S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID121041301
Molecular FormulaC25H19N3O4S2
Molecular Weight489.58 g/mol
Exact Mass489.08
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1
InChIInChI=1S/C25H19N3O4S2/c1-32-17-11-13-18(14-12-17)34(30,31)28-21-9-5-4-8-20(21)24(29)27-25-26-23-19-7-3-2-6-16(19)10-15-22(23)33-25/h2-15,28H,1H3,(H,26,27,29)
InChIKeyNCNGEVVVFKFPBE-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

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Related Compounds

N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041455
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 41018250
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041363
2-[(3,4-difluorophenyl)sulfonylamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2374730
N-benzo[e][1,3]benzothiazol-2-yl-2-(4-methoxyphenyl)acetamide
CID 7742065
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041309
2-(benzenesulfonamido)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide
CID 121040698
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829102
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
2-[(4-methoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7541926
N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 121041301) is N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(ccc4ccccc43)s2)cc1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is NCNGEVVVFKFPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4S2/c1-32-17-11-13-18(14-12-17)34(30,31)28-21-9-5-4-8-20(21)24(29)27-25-26-23-19-7-3-2-6-16(19)10-15-22(23)33-25/h2-15,28H,1H3,(H,26,27,29).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-benzo[e][1,3]benzothiazol-2-yl-2-[(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[e][1,3]benzothiazol-2-yl-2-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 121041301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).