N-(3-chloro-4-pyridinyl)benzenesulfonamide

C11H9ClN2O2S — CID 2448244

IUPACN-(3-chloro-4-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1Cl)c1ccccc1
InChIInChI=1S/C11H9ClN2O2S/c12-10-8-13-7-6-11(10)14-17(15,16)9-4-2-1-3-5-9/h1-8H,(H,13,14)
InChIKeyMDRYWYLVPVKJFE-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.54
Rot. Bonds3

About N-(3-chloro-4-pyridinyl)benzenesulfonamide

N-(3-chloro-4-pyridinyl)benzenesulfonamide (PubChem CID 2448244) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)benzenesulfonamide
PubChem CID2448244
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC NameN-(3-chloro-4-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccncc1Cl)c1ccccc1
InChIInChI=1S/C11H9ClN2O2S/c12-10-8-13-7-6-11(10)14-17(15,16)9-4-2-1-3-5-9/h1-8H,(H,13,14)
InChIKeyMDRYWYLVPVKJFE-UHFFFAOYSA-N
XLogP2.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-pyridinyl)benzenesulfonamide (CID 2448244) is N-(3-chloro-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-pyridinyl)benzenesulfonamide is O=S(=O)(Nc1ccncc1Cl)c1ccccc1.
What is the InChIKey of N-(3-chloro-4-pyridinyl)benzenesulfonamide?
The InChIKey is MDRYWYLVPVKJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-10-8-13-7-6-11(10)14-17(15,16)9-4-2-1-3-5-9/h1-8H,(H,13,14).
What are the key properties of N-(3-chloro-4-pyridinyl)benzenesulfonamide?
N-(3-chloro-4-pyridinyl)benzenesulfonamide has a molecular weight of 268.73 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 2448244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).