6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide

C21H14Cl2N2O4S2 — CID 23515225

IUPAC6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1)c1ccc(Cl)nc1
InChIInChI=1S/C21H14Cl2N2O4S2/c22-19-12-16(25-31(28,29)18-8-10-21(23)24-13-18)6-9-20(19)30(26,27)17-7-5-14-3-1-2-4-15(14)11-17/h1-13,25H
InChIKeyFBDKWBPAGVULOO-UHFFFAOYSA-N
MW493.39 g/mol
LogP5.18
Rot. Bonds5

About 6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide

6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide (PubChem CID 23515225) has the molecular formula C21H14Cl2N2O4S2 and a molecular weight of 493.39 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide
PubChem CID23515225
Molecular FormulaC21H14Cl2N2O4S2
Molecular Weight493.39 g/mol
Exact Mass491.98
IUPAC Name6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1)c1ccc(Cl)nc1
InChIInChI=1S/C21H14Cl2N2O4S2/c22-19-12-16(25-31(28,29)18-8-10-21(23)24-13-18)6-9-20(19)30(26,27)17-7-5-14-3-1-2-4-15(14)11-17/h1-13,25H
InChIKeyFBDKWBPAGVULOO-UHFFFAOYSA-N
XLogP5.18
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-methyl-4-naphthalen-2-yloxyphenyl)pyridine-3-sulfonamide
CID 142036672
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide
CID 143108287
6-chloro-N-(3-iodo-4-methylphenyl)pyridine-3-sulfonamide
CID 26950537
6-chloro-N-(4-phenylmethoxyphenyl)pyridine-3-sulfonamide
CID 26951357
6-chloro-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 4729879
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
6-chloro-N-(3-ethynylphenyl)pyridine-3-sulfonamide
CID 24689721
3-[(6-chloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 7938689

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide (CID 23515225) is 6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide?
The InChIKey is FBDKWBPAGVULOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O4S2/c22-19-12-16(25-31(28,29)18-8-10-21(23)24-13-18)6-9-20(19)30(26,27)17-7-5-14-3-1-2-4-15(14)11-17/h1-13,25H.
What are the key properties of 6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide?
6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide has a molecular weight of 493.39 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-4-naphthalen-2-ylsulfonylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 23515225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).