N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide

C17H13ClN2O2S — CID 1087769

IUPACN-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H13ClN2O2S/c18-17-16(7-4-12-19-17)20-23(21,22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,20H
InChIKeyJKYVSKFWVITOSB-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.20
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide

N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide (PubChem CID 1087769) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide
PubChem CID1087769
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC NameN-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H13ClN2O2S/c18-17-16(7-4-12-19-17)20-23(21,22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,20H
InChIKeyJKYVSKFWVITOSB-UHFFFAOYSA-N
XLogP4.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide (CID 1087769) is N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide is O=S(=O)(Nc1cccnc1Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide?
The InChIKey is JKYVSKFWVITOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-17-16(7-4-12-19-17)20-23(21,22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,20H.
What are the key properties of N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide?
N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide has a molecular weight of 344.82 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 1087769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).