2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide

C15H12Cl2N2O2S2 — CID 10430282

IUPAC2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCc1nc2cc(C)c(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2s1
InChIInChI=1S/C15H12Cl2N2O2S2/c1-8-5-13-14(22-9(2)18-13)7-12(8)19-23(20,21)15-6-10(16)3-4-11(15)17/h3-7,19H,1-2H3
InChIKeyZMPFKDQMEJXALS-UHFFFAOYSA-N
MW387.31 g/mol
LogP5.02
Rot. Bonds3

About 2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide

2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide (PubChem CID 10430282) has the molecular formula C15H12Cl2N2O2S2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide
PubChem CID10430282
Molecular FormulaC15H12Cl2N2O2S2
Molecular Weight387.31 g/mol
Exact Mass385.97
IUPAC Name2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESCc1nc2cc(C)c(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2s1
InChIInChI=1S/C15H12Cl2N2O2S2/c1-8-5-13-14(22-9(2)18-13)7-12(8)19-23(20,21)15-6-10(16)3-4-11(15)17/h3-7,19H,1-2H3
InChIKeyZMPFKDQMEJXALS-UHFFFAOYSA-N
XLogP5.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.31
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
2,5-dichloro-N-(1,5-dimethylpyrazol-4-yl)benzenesulfonamide
CID 4769211
2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303998
2,5-dichloro-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297620
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid
CID 10432094
2,5-dichloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 2218577
3-chloro-2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 6918870
2,5-dichloro-N-(2-methylquinolin-6-yl)benzenesulfonamide
CID 11280072
2,4,6-trichloro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 10409141
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide (CID 10430282) is 2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide is Cc1nc2cc(C)c(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2s1.
What is the InChIKey of 2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
The InChIKey is ZMPFKDQMEJXALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S2/c1-8-5-13-14(22-9(2)18-13)7-12(8)19-23(20,21)15-6-10(16)3-4-11(15)17/h3-7,19H,1-2H3.
What are the key properties of 2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide?
2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide has a molecular weight of 387.31 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,5-dimethyl-1,3-benzothiazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 10430282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).