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

C11H8Cl2N2O2S — CID 1118243

IUPAC2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H8Cl2N2O2S/c12-8-1-2-10(13)11(7-8)18(16,17)15-9-3-5-14-6-4-9/h1-7H,(H,14,15)
InChIKeyZPLOIFNFWYUYER-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.19
Rot. Bonds3

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

2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 1118243) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is 2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide
PubChem CID1118243
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Name2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H8Cl2N2O2S/c12-8-1-2-10(13)11(7-8)18(16,17)15-9-3-5-14-6-4-9/h1-7H,(H,14,15)
InChIKeyZPLOIFNFWYUYER-UHFFFAOYSA-N
XLogP3.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-4-yl)benzenesulfonamide
CID 669138
4-(4-Chloroanilino)-3-pyridinesulfonamide
CID 902007
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
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
2,5-dichloro-N-(3-chloro-4-pyridinyl)benzenesulfonamide
CID 2444857
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-2,5-dichlorobenzene-1-sulfonamide
CID 2807133
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
4-Chloro-N-pyridin-4-yl-benzenesulfonamide
CID 674932
AJ-333/09219002
CID 4118683

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide (CID 1118243) is 2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide is O=S(=O)(Nc1ccncc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is ZPLOIFNFWYUYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c12-8-1-2-10(13)11(7-8)18(16,17)15-9-3-5-14-6-4-9/h1-7H,(H,14,15).
What are the key properties of 2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide?
2,5-dichloro-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 303.17 g/mol, XLogP of 3.19, 3 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-4-ylbenzenesulfonamide is sourced from PubChem (CID 1118243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).