2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide

C13H12Cl2N2O3S — CID 103292180

IUPAC2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide
SMILESCOc1cccc(Cl)c1CNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-12-4-2-3-11(14)10(12)8-17-21(18,19)9-5-6-16-13(15)7-9/h2-7,17H,8H2,1H3
InChIKeyOLEPGQYAGJJRHQ-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.88
Rot. Bonds5

About 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide

2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide (PubChem CID 103292180) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide
PubChem CID103292180
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide
SMILESCOc1cccc(Cl)c1CNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-12-4-2-3-11(14)10(12)8-17-21(18,19)9-5-6-16-13(15)7-9/h2-7,17H,8H2,1H3
InChIKeyOLEPGQYAGJJRHQ-UHFFFAOYSA-N
XLogP2.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-3-sulfonamide
CID 106087259
5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 103293302
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 103293007
2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide
CID 62524558
N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164415
4-chloro-N-[(2-fluoro-6-methoxyphenyl)methyl]-3-nitrobenzenesulfonamide
CID 91608632
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 103293349
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 61045796

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide (CID 103292180) is 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide is COc1cccc(Cl)c1CNS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide?
The InChIKey is OLEPGQYAGJJRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-20-12-4-2-3-11(14)10(12)8-17-21(18,19)9-5-6-16-13(15)7-9/h2-7,17H,8H2,1H3.
What are the key properties of 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide?
2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide has a molecular weight of 347.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide is sourced from PubChem (CID 103292180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).