4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

C19H16N4O2S2 — CID 91630719

IUPAC4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cncc(-c2cccs2)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H16N4O2S2/c24-27(25,18-6-4-17(5-7-18)23-9-2-8-21-23)22-13-15-11-16(14-20-12-15)19-3-1-10-26-19/h1-12,14,22H,13H2
InChIKeyZWMPCXFEKQVBMS-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.47
Rot. Bonds6

About 4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide

4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 91630719) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID91630719
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cncc(-c2cccs2)c1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H16N4O2S2/c24-27(25,18-6-4-17(5-7-18)23-9-2-8-21-23)22-13-15-11-16(14-20-12-15)19-3-1-10-26-19/h1-12,14,22H,13H2
InChIKeyZWMPCXFEKQVBMS-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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Related Compounds

4-[1-(4-Methylsulfonylphenyl)pyrazol-4-yl]pyridine
CID 3620985
2-[4-[2-[[ethyl-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 53358320
4-Pentyl-N-[2-(5-pyrazin-2-yl-3-thiophen-2-yl-1H-pyrazol-4-yl)-ethyl]-benzenesulfonamide
CID 56666643
2-[4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 56666644
2-[4-[2-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]sulfamoyl]amino]ethyl]-5-thiophen-2-yl-1H-pyrazol-3-yl]pyrazine
CID 56670055
N-Methyl-1-[5-phenyl-1-(2-thienylsulfonyl)-1H-pyrrol-3-yl]methanamine hydrochloride
CID 57522260
N-Methyl-1-[5-phenyl-1-(3-thienylsulfonyl)-1H-pyrrol-3-yl]methanamine hydrochloride
CID 57522379
1-[5-(2-fluoro-3-pyridinyl)-1-thiophen-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 67084021
4-[(2E)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzenesulfonamide
CID 9670310
N-(3-((1H-pyrazol-3-yl)methyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)-5-(pyridin-2-yl)thiophene-2-sulfonamide
CID 45102707
4-(8-Thia-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaen-3-yl)benzenesulfonamide
CID 71450117
US10308605, Example 43
CID 11702720

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide (CID 91630719) is 4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cncc(-c2cccs2)c1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is ZWMPCXFEKQVBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c24-27(25,18-6-4-17(5-7-18)23-9-2-8-21-23)22-13-15-11-16(14-20-12-15)19-3-1-10-26-19/h1-12,14,22H,13H2.
What are the key properties of 4-pyrazol-1-yl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide?
4-pyrazol-1-yl-N-[(5-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-[(5-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91630719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).