2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide

C12H10Cl2N2O2S — CID 660168

IUPAC2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c13-10-3-4-11(14)12(6-10)19(17,18)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2
InChIKeyAAISMRVATULTLV-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.87
Rot. Bonds4

About 2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide

2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 660168) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID660168
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c13-10-3-4-11(14)12(6-10)19(17,18)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2
InChIKeyAAISMRVATULTLV-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

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Related Compounds

4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 26947494
4-chloro-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
CID 2411456
3-(aminomethyl)-2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030751
5-chloro-2-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110758481
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6463677
4,5-dichloro-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 6737013
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909
2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 99951065
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196553
2-chloro-5-cyano-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80697531

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 660168) is 2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccnc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is AAISMRVATULTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c13-10-3-4-11(14)12(6-10)19(17,18)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2.
What are the key properties of 2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide 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 2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 660168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).