2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide

C12H9Cl3N2O2S — CID 2281640

IUPAC2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H9Cl3N2O2S/c13-9-3-4-10(12(15)11(9)14)20(18,19)17-7-8-2-1-5-16-6-8/h1-6,17H,7H2
InChIKeySYLMXTJHXCMXKE-UHFFFAOYSA-N
MW351.64 g/mol
LogP3.52
Rot. Bonds4

About 2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide

2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 2281640) has the molecular formula C12H9Cl3N2O2S and a molecular weight of 351.64 g/mol. Its IUPAC name is 2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID2281640
Molecular FormulaC12H9Cl3N2O2S
Molecular Weight351.64 g/mol
Exact Mass349.95
IUPAC Name2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C12H9Cl3N2O2S/c13-9-3-4-10(12(15)11(9)14)20(18,19)17-7-8-2-1-5-16-6-8/h1-6,17H,7H2
InChIKeySYLMXTJHXCMXKE-UHFFFAOYSA-N
XLogP3.52
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Benzenesulfonamide, 2,4-dichloro-3-methyl-N-(3-pyridyl)-
CID 534146
1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
2,4,5-Trichloro-N-pyridin-4-yl-benzenesulfonamide
CID 839390
2,3-dichloro-N-(3-chloro-4-pyridinyl)benzenesulfonamide
CID 2444711
3-{1-[(4-Chlorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738276
3-[1-(2,4-Dichlorophenyl)sulfonyl-2-pyrrolidinyl]pyridine
CID 2805684
4-chloro-N-[(Z)-1-pyridin-4-ylethylideneamino]benzenesulfonamide
CID 6157925
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
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

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 2281640) is 2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccnc1)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is SYLMXTJHXCMXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O2S/c13-9-3-4-10(12(15)11(9)14)20(18,19)17-7-8-2-1-5-16-6-8/h1-6,17H,7H2.
What are the key properties of 2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 351.64 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2281640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).