2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide

C16H14ClN3O2S — CID 47034188

IUPAC2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)c(Cl)c1
InChIInChI=1S/C16H14ClN3O2S/c1-12-6-7-16(15(17)10-12)23(21,22)19-13-4-2-5-14(11-13)20-9-3-8-18-20/h2-11,19H,1H3
InChIKeyBJNGYBMHUDORFU-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.63
Rot. Bonds4

About 2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide

2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide (PubChem CID 47034188) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
PubChem CID47034188
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)c(Cl)c1
InChIInChI=1S/C16H14ClN3O2S/c1-12-6-7-16(15(17)10-12)23(21,22)19-13-4-2-5-14(11-13)20-9-3-8-18-20/h2-11,19H,1H3
InChIKeyBJNGYBMHUDORFU-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide (CID 47034188) is 2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is BJNGYBMHUDORFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-12-6-7-16(15(17)10-12)23(21,22)19-13-4-2-5-14(11-13)20-9-3-8-18-20/h2-11,19H,1H3.
What are the key properties of 2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide?
2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 47034188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).