2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide

C12H9Cl3N2O2S — CID 19683104

IUPAC2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccnc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl3N2O2S/c1-7-3-2-4-16-12(7)17-20(18,19)11-6-9(14)8(13)5-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeyUUSYISAZODSUJC-UHFFFAOYSA-N
MW351.64 g/mol
LogP4.15
Rot. Bonds3

About 2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide

2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 19683104) has the molecular formula C12H9Cl3N2O2S and a molecular weight of 351.64 g/mol. Its IUPAC name is 2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID19683104
Molecular FormulaC12H9Cl3N2O2S
Molecular Weight351.64 g/mol
Exact Mass349.95
IUPAC Name2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccnc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl3N2O2S/c1-7-3-2-4-16-12(7)17-20(18,19)11-6-9(14)8(13)5-10(11)15/h2-6H,1H3,(H,16,17)
InChIKeyUUSYISAZODSUJC-UHFFFAOYSA-N
XLogP4.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 15944002
5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 45100413
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
2-chloro-N-(3-cyano-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
CID 75524771
4-chloro-N-(3-methyl-2-pyridinyl)-3-nitrobenzenesulfonamide
CID 43217809
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide
CID 102990036
3-amino-N-(3-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303464
5-amino-2-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103093986
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide (CID 19683104) is 2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide is Cc1cccnc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is UUSYISAZODSUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O2S/c1-7-3-2-4-16-12(7)17-20(18,19)11-6-9(14)8(13)5-10(11)15/h2-6H,1H3,(H,16,17).
What are the key properties of 2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 351.64 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 19683104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).