N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide

C16H14ClN3O2S — CID 60534309

IUPACN-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O2S/c17-15-8-4-5-9-16(15)23(21,22)19-14-10-18-20(12-14)11-13-6-2-1-3-7-13/h1-10,12,19H,11H2
InChIKeyPVHYZEGSFVOYTD-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.39
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide

N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide (PubChem CID 60534309) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
PubChem CID60534309
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O2S/c17-15-8-4-5-9-16(15)23(21,22)19-14-10-18-20(12-14)11-13-6-2-1-3-7-13/h1-10,12,19H,11H2
InChIKeyPVHYZEGSFVOYTD-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 113226024
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide
CID 83092889
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-nitrobenzenesulfonamide
CID 22203669
N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 60933913
N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 113229970
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 167971932
4-chloro-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzenesulfonamide
CID 22204566
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 3461470
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
CID 22204533

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide (CID 60534309) is N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide is O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1ccccc1Cl.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide?
The InChIKey is PVHYZEGSFVOYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-15-8-4-5-9-16(15)23(21,22)19-14-10-18-20(12-14)11-13-6-2-1-3-7-13/h1-10,12,19H,11H2.
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide?
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 60534309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).