N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide

C16H10Cl2N4O2S2 — CID 50835429

IUPACN-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1)c1cnc[nH]1
InChIInChI=1S/C16H10Cl2N4O2S2/c17-9-1-4-13-14(5-9)25-16(21-13)11-3-2-10(6-12(11)18)22-26(23,24)15-7-19-8-20-15/h1-8,22H,(H,19,20)
InChIKeyLEMSRCGSLVQGBQ-UHFFFAOYSA-N
MW425.32 g/mol
LogP4.79
Rot. Bonds4

About N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide

N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide (PubChem CID 50835429) has the molecular formula C16H10Cl2N4O2S2 and a molecular weight of 425.32 g/mol. Its IUPAC name is N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide
PubChem CID50835429
Molecular FormulaC16H10Cl2N4O2S2
Molecular Weight425.32 g/mol
Exact Mass423.96
IUPAC NameN-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1)c1cnc[nH]1
InChIInChI=1S/C16H10Cl2N4O2S2/c17-9-1-4-13-14(5-9)25-16(21-13)11-3-2-10(6-12(11)18)22-26(23,24)15-7-19-8-20-15/h1-8,22H,(H,19,20)
InChIKeyLEMSRCGSLVQGBQ-UHFFFAOYSA-N
XLogP4.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46392568
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 46392575
N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 46392543
N-[3-chloro-4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 46392544
N-(3-amino-4-bromophenyl)-1H-imidazole-5-sulfonamide
CID 79768373
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-4-propylbenzenesulfonamide
CID 46392507
N-[3-chloro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 46392562
N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 46392721
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1H-imidazole-5-sulfonamide
CID 46392593
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-3-cyanobenzenesulfonamide
CID 46392537
N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 46392729
N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 3658049

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide (CID 50835429) is N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide is O=S(=O)(Nc1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1)c1cnc[nH]1.
What is the InChIKey of N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide?
The InChIKey is LEMSRCGSLVQGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O2S2/c17-9-1-4-13-14(5-9)25-16(21-13)11-3-2-10(6-12(11)18)22-26(23,24)15-7-19-8-20-15/h1-8,22H,(H,19,20).
What are the key properties of N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide?
N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide has a molecular weight of 425.32 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 50835429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).