N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide

C18H17Cl2N3O3S2 — CID 4671583

IUPACN-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1
InChIInChI=1S/C18H17Cl2N3O3S2/c1-3-23(4-2)28(25,26)12-7-5-11(6-8-12)17(24)22-18-21-15-13(19)9-10-14(20)16(15)27-18/h5-10H,3-4H2,1-2H3,(H,21,22,24)
InChIKeyIZNBBLPVDCJHSU-UHFFFAOYSA-N
MW458.39 g/mol
LogP4.89
Rot. Bonds6

About N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide (PubChem CID 4671583) has the molecular formula C18H17Cl2N3O3S2 and a molecular weight of 458.39 g/mol. Its IUPAC name is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
PubChem CID4671583
Molecular FormulaC18H17Cl2N3O3S2
Molecular Weight458.39 g/mol
Exact Mass457.01
IUPAC NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1
InChIInChI=1S/C18H17Cl2N3O3S2/c1-3-23(4-2)28(25,26)12-7-5-11(6-8-12)17(24)22-18-21-15-13(19)9-10-14(20)16(15)27-18/h5-10H,3-4H2,1-2H3,(H,21,22,24)
InChIKeyIZNBBLPVDCJHSU-UHFFFAOYSA-N
XLogP4.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 16822993
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993217
4-[cyclopentyl(methyl)sulfamoyl]-N-(4,7-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 43947389
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 41148747
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(diethylsulfamoyl)benzamide
CID 16813775
4-(diethylsulfamoyl)-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 5048791
N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 43953395
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4058144
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide (CID 4671583) is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1.
What is the InChIKey of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide?
The InChIKey is IZNBBLPVDCJHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3S2/c1-3-23(4-2)28(25,26)12-7-5-11(6-8-12)17(24)22-18-21-15-13(19)9-10-14(20)16(15)27-18/h5-10H,3-4H2,1-2H3,(H,21,22,24).
What are the key properties of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide?
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide has a molecular weight of 458.39 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 4671583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).