2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide

C15H13ClN4O2S2 — CID 2826028

IUPAC2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCSc1n[nH]c(NS(=O)(=O)c2ccccc2Cl)c1-c1ccccn1
InChIInChI=1S/C15H13ClN4O2S2/c1-23-15-13(11-7-4-5-9-17-11)14(18-19-15)20-24(21,22)12-8-3-2-6-10(12)16/h2-9H,1H3,(H2,18,19,20)
InChIKeyIYHJFJNEIZFSLD-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.65
Rot. Bonds5

About 2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide

2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 2826028) has the molecular formula C15H13ClN4O2S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID2826028
Molecular FormulaC15H13ClN4O2S2
Molecular Weight380.88 g/mol
Exact Mass380.02
IUPAC Name2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCSc1n[nH]c(NS(=O)(=O)c2ccccc2Cl)c1-c1ccccn1
InChIInChI=1S/C15H13ClN4O2S2/c1-23-15-13(11-7-4-5-9-17-11)14(18-19-15)20-24(21,22)12-8-3-2-6-10(12)16/h2-9H,1H3,(H2,18,19,20)
InChIKeyIYHJFJNEIZFSLD-UHFFFAOYSA-N
XLogP3.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide (CID 2826028) is 2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide is CSc1n[nH]c(NS(=O)(=O)c2ccccc2Cl)c1-c1ccccn1.
What is the InChIKey of 2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is IYHJFJNEIZFSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2S2/c1-23-15-13(11-7-4-5-9-17-11)14(18-19-15)20-24(21,22)12-8-3-2-6-10(12)16/h2-9H,1H3,(H2,18,19,20).
What are the key properties of 2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide?
2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 380.88 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylsulfanyl-4-pyridin-2-yl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 2826028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).