4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide

C21H24ClN3O3S2 — CID 4058144

IUPAC4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)cc1
InChIInChI=1S/C21H24ClN3O3S2/c1-4-6-11-25(5-2)30(27,28)17-9-7-15(8-10-17)20(26)24-21-23-19-14(3)12-16(22)13-18(19)29-21/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,24,26)
InChIKeyUIVRAOAKHFRFEN-UHFFFAOYSA-N
MW466.03 g/mol
LogP5.32
Rot. Bonds8

About 4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide

4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 4058144) has the molecular formula C21H24ClN3O3S2 and a molecular weight of 466.03 g/mol. Its IUPAC name is 4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID4058144
Molecular FormulaC21H24ClN3O3S2
Molecular Weight466.03 g/mol
Exact Mass465.09
IUPAC Name4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)cc1
InChIInChI=1S/C21H24ClN3O3S2/c1-4-6-11-25(5-2)30(27,28)17-9-7-15(8-10-17)20(26)24-21-23-19-14(3)12-16(22)13-18(19)29-21/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,24,26)
InChIKeyUIVRAOAKHFRFEN-UHFFFAOYSA-N
XLogP5.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.03
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4119592
4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 3567285
4-[butyl(methyl)sulfamoyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 5072924
4-[butyl(ethyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4172039
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 42387687
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699
4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938474
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2159265
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 4085392
ethyl 2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3263875
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949654
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 1355448

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 4058144) is 4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide is CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)cc1.
What is the InChIKey of 4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is UIVRAOAKHFRFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S2/c1-4-6-11-25(5-2)30(27,28)17-9-7-15(8-10-17)20(26)24-21-23-19-14(3)12-16(22)13-18(19)29-21/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,24,26).
What are the key properties of 4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide?
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 466.03 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4058144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).