4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

C19H16N4O2S2 — CID 91625877

IUPAC4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1-c1cccs1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H16N4O2S2/c24-27(25,17-8-6-16(7-9-17)23-12-3-11-21-23)22-14-15-4-1-10-20-19(15)18-5-2-13-26-18/h1-13,22H,14H2
InChIKeyHUEJSZZMNVFFMU-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.47
Rot. Bonds6

About 4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 91625877) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID91625877
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1-c1cccs1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H16N4O2S2/c24-27(25,17-8-6-16(7-9-17)23-12-3-11-21-23)22-14-15-4-1-10-20-19(15)18-5-2-13-26-18/h1-13,22H,14H2
InChIKeyHUEJSZZMNVFFMU-UHFFFAOYSA-N
XLogP3.47
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 91625877) is 4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cccnc1-c1cccs1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is HUEJSZZMNVFFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c24-27(25,17-8-6-16(7-9-17)23-12-3-11-21-23)22-14-15-4-1-10-20-19(15)18-5-2-13-26-18/h1-13,22H,14H2.
What are the key properties of 4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 396.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91625877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).