N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide

C16H14ClN3O2S — CID 20914765

IUPACN-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H14ClN3O2S/c17-16-5-2-1-4-13(16)12-19-23(21,22)15-8-6-14(7-9-15)20-11-3-10-18-20/h1-11,19H,12H2
InChIKeyNTDLYWQRWOPZSP-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.00
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914765) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914765
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H14ClN3O2S/c17-16-5-2-1-4-13(16)12-19-23(21,22)15-8-6-14(7-9-15)20-11-3-10-18-20/h1-11,19H,12H2
InChIKeyNTDLYWQRWOPZSP-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 20914765) is N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(NCc1ccccc1Cl)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is NTDLYWQRWOPZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-16-5-2-1-4-13(16)12-19-23(21,22)15-8-6-14(7-9-15)20-11-3-10-18-20/h1-11,19H,12H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).