N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide

C13H8Cl2N2O2S2 — CID 59823085

IUPACN-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ncsc2c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2N2O2S2/c14-8-1-4-13(10(15)5-8)21(18,19)17-9-2-3-11-12(6-9)20-7-16-11/h1-7,17H
InChIKeyQHVGFLSZPPTYRZ-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.40
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide

N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide (PubChem CID 59823085) has the molecular formula C13H8Cl2N2O2S2 and a molecular weight of 359.26 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide
PubChem CID59823085
Molecular FormulaC13H8Cl2N2O2S2
Molecular Weight359.26 g/mol
Exact Mass357.94
IUPAC NameN-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ncsc2c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2N2O2S2/c14-8-1-4-13(10(15)5-8)21(18,19)17-9-2-3-11-12(6-9)20-7-16-11/h1-7,17H
InChIKeyQHVGFLSZPPTYRZ-UHFFFAOYSA-N
XLogP4.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
CID 107806361
methyl 2-(1,3-benzothiazol-6-ylsulfamoyl)benzoate
CID 3796788
N-[(4-chloro-2-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107804043
N-[4-(1,3-benzothiazol-6-ylsulfamoyl)phenyl]acetamide
CID 74225339
6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide
CID 107801222
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
N-[(2-bromo-5-chlorophenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803729
N-(1,3-benzothiazol-6-yl)-2-(methylamino)pyridine-4-sulfonamide
CID 107801209
2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 69227449
3-[(1,3-benzothiazole-6-carbonylamino)carbamoyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 24642868
N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
CID 3716276
N-(1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4990247

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide (CID 59823085) is N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide is O=S(=O)(Nc1ccc2ncsc2c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide?
The InChIKey is QHVGFLSZPPTYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S2/c14-8-1-4-13(10(15)5-8)21(18,19)17-9-2-3-11-12(6-9)20-7-16-11/h1-7,17H.
What are the key properties of N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide?
N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide has a molecular weight of 359.26 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 59823085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).