2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide

C11H7Cl3N2O2S — CID 839390

IUPAC2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl3N2O2S/c12-8-5-10(14)11(6-9(8)13)19(17,18)16-7-1-3-15-4-2-7/h1-6H,(H,15,16)
InChIKeyOJJDBZBPNHRSRN-UHFFFAOYSA-N
MW337.62 g/mol
LogP3.84
Rot. Bonds3

About 2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide

2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 839390) has the molecular formula C11H7Cl3N2O2S and a molecular weight of 337.62 g/mol. Its IUPAC name is 2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide
PubChem CID839390
Molecular FormulaC11H7Cl3N2O2S
Molecular Weight337.62 g/mol
Exact Mass335.93
IUPAC Name2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl3N2O2S/c12-8-5-10(14)11(6-9(8)13)19(17,18)16-7-1-3-15-4-2-7/h1-6H,(H,15,16)
InChIKeyOJJDBZBPNHRSRN-UHFFFAOYSA-N
XLogP3.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.62
LogP ≤ 53.84
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

4-(4-Chloroanilino)-3-pyridinesulfonamide
CID 902007
2,3-dichloro-N-(3-chloro-4-pyridinyl)benzenesulfonamide
CID 2444711
2,5-dichloro-N-(3-chloro-4-pyridinyl)benzenesulfonamide
CID 2444857
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
4-Chloro-N-pyridin-4-yl-benzenesulfonamide
CID 674932
3,4-Dichloro-N-pyridin-4-yl-benzenesulfonamide
CID 839468
2,5-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 936709
N'1-(3-pyridylmethylidene)-3,4-dichlorobenzene-1-sulfonohydrazide
CID 9580332
3-Pyridinesulfonamide, 4-((3,4-dichlorophenyl)amino)-
CID 902071
2,3,4-trichloro-N-(3-pyridinylmethyl)benzenesulfonamide
CID 2281640
4-(3,4-Dichlorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
CID 71859095
2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide
CID 1118243

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide (CID 839390) is 2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide is O=S(=O)(Nc1ccncc1)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is OJJDBZBPNHRSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O2S/c12-8-5-10(14)11(6-9(8)13)19(17,18)16-7-1-3-15-4-2-7/h1-6H,(H,15,16).
What are the key properties of 2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide?
2,4,5-trichloro-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 337.62 g/mol, XLogP of 3.84, 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-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 839390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).