6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide

C12H10Cl2N2O2S — CID 826869

IUPAC6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C12H10Cl2N2O2S/c13-10-3-1-9(2-4-10)7-16-19(17,18)11-5-6-12(14)15-8-11/h1-6,8,16H,7H2
InChIKeySQBOFXXQIARXHW-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.87
Rot. Bonds4

About 6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide

6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide (PubChem CID 826869) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
PubChem CID826869
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C12H10Cl2N2O2S/c13-10-3-1-9(2-4-10)7-16-19(17,18)11-5-6-12(14)15-8-11/h1-6,8,16H,7H2
InChIKeySQBOFXXQIARXHW-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 62162273
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
N-[(4-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide
CID 28533546
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[(4-chlorophenyl)methyl]-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958766
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 35387073
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide (CID 826869) is 6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is SQBOFXXQIARXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c13-10-3-1-9(2-4-10)7-16-19(17,18)11-5-6-12(14)15-8-11/h1-6,8,16H,7H2.
What are the key properties of 6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide?
6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 317.20 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 826869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).