2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide

C20H22ClN3O3S2 — CID 3601899

IUPAC2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1
InChIInChI=1S/C20H22ClN3O3S2/c1-3-11-24(12-4-2)29(26,27)14-9-10-17-18(13-14)28-20(22-17)23-19(25)15-7-5-6-8-16(15)21/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23,25)
InChIKeySHOMMIRBZHVQLL-UHFFFAOYSA-N
MW452.00 g/mol
LogP5.01
Rot. Bonds8

About 2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide

2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 3601899) has the molecular formula C20H22ClN3O3S2 and a molecular weight of 452.00 g/mol. Its IUPAC name is 2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID3601899
Molecular FormulaC20H22ClN3O3S2
Molecular Weight452.00 g/mol
Exact Mass451.08
IUPAC Name2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1
InChIInChI=1S/C20H22ClN3O3S2/c1-3-11-24(12-4-2)29(26,27)14-9-10-17-18(13-14)28-20(22-17)23-19(25)15-7-5-6-8-16(15)21/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23,25)
InChIKeySHOMMIRBZHVQLL-UHFFFAOYSA-N
XLogP5.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.00
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
CID 4282059
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 2138899
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5007269
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 3315451
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-[[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]sulfamoyl]benzamide
CID 4049160
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4062389
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 3476307
2-(4-chloro-3-nitrobenzoyl)-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 4106258
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-(4-methylbenzoyl)benzamide
CID 4671611
5-(diethylsulfamoyl)-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983232

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide (CID 3601899) is 2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide is CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1.
What is the InChIKey of 2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is SHOMMIRBZHVQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3S2/c1-3-11-24(12-4-2)29(26,27)14-9-10-17-18(13-14)28-20(22-17)23-19(25)15-7-5-6-8-16(15)21/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23,25).
What are the key properties of 2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide?
2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 452.00 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 3601899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).