2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide

C16H14Cl2N4O2S — CID 121196553

IUPAC2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCn1cc(-c2cncc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)c2)cn1
InChIInChI=1S/C16H14Cl2N4O2S/c1-22-10-13(9-20-22)12-4-11(6-19-8-12)7-21-25(23,24)16-5-14(17)2-3-15(16)18/h2-6,8-10,21H,7H2,1H3
InChIKeyDJMVONRZSLWMBH-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.27
Rot. Bonds5

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

2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 121196553) has the molecular formula C16H14Cl2N4O2S and a molecular weight of 397.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID121196553
Molecular FormulaC16H14Cl2N4O2S
Molecular Weight397.29 g/mol
Exact Mass396.02
IUPAC Name2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCn1cc(-c2cncc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)c2)cn1
InChIInChI=1S/C16H14Cl2N4O2S/c1-22-10-13(9-20-22)12-4-11(6-19-8-12)7-21-25(23,24)16-5-14(17)2-3-15(16)18/h2-6,8-10,21H,7H2,1H3
InChIKeyDJMVONRZSLWMBH-UHFFFAOYSA-N
XLogP3.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

3-chloro-4-methyl-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196543
4-methyl-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196562
2-cyano-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196568
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196538
5-(aminomethyl)-2-chloro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018200
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
[4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191359
2-(2-chloro-6-fluorophenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 119105107
2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 45147167
3-amino-2-bromo-5-chloro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 62956906
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538
4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122274694

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (CID 121196553) is 2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is Cn1cc(-c2cncc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)c2)cn1.
What is the InChIKey of 2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is DJMVONRZSLWMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2S/c1-22-10-13(9-20-22)12-4-11(6-19-8-12)7-21-25(23,24)16-5-14(17)2-3-15(16)18/h2-6,8-10,21H,7H2,1H3.
What are the key properties of 2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 397.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 121196553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).