N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide

C15H13ClN4O2S — CID 87563413

IUPACN-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide
SMILESCn1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1
InChIInChI=1S/C15H13ClN4O2S/c1-20-10-12(9-18-20)11-7-14(15(16)17-8-11)19-23(21,22)13-5-3-2-4-6-13/h2-10,19H,1H3
InChIKeyANBDBTPNGLARRQ-UHFFFAOYSA-N
MW348.82 g/mol
LogP2.94
Rot. Bonds4

About N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide

N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 87563413) has the molecular formula C15H13ClN4O2S and a molecular weight of 348.82 g/mol. Its IUPAC name is N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID87563413
Molecular FormulaC15H13ClN4O2S
Molecular Weight348.82 g/mol
Exact Mass348.04
IUPAC NameN-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide
SMILESCn1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1
InChIInChI=1S/C15H13ClN4O2S/c1-20-10-12(9-18-20)11-7-14(15(16)17-8-11)19-23(21,22)13-5-3-2-4-6-13/h2-10,19H,1H3
InChIKeyANBDBTPNGLARRQ-UHFFFAOYSA-N
XLogP2.94
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide (CID 87563413) is N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide is Cn1cc(-c2cnc(Cl)c(NS(=O)(=O)c3ccccc3)c2)cn1.
What is the InChIKey of N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is ANBDBTPNGLARRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S/c1-20-10-12(9-18-20)11-7-14(15(16)17-8-11)19-23(21,22)13-5-3-2-4-6-13/h2-10,19H,1H3.
What are the key properties of N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 348.82 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 87563413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).