4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide

C16H14ClN3O2S — CID 45283589

IUPAC4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2[nH]ncc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H14ClN3O2S/c1-11-5-7-14(8-6-11)20-23(21,22)16-15(10-18-19-16)12-3-2-4-13(17)9-12/h2-10,20H,1H3,(H,18,19)
InChIKeyDPSPWYJFWDWNOZ-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.84
Rot. Bonds4

About 4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide

4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 45283589) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID45283589
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2[nH]ncc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H14ClN3O2S/c1-11-5-7-14(8-6-11)20-23(21,22)16-15(10-18-19-16)12-3-2-4-13(17)9-12/h2-10,20H,1H3,(H,18,19)
InChIKeyDPSPWYJFWDWNOZ-UHFFFAOYSA-N
XLogP3.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide (CID 45283589) is 4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2[nH]ncc2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is DPSPWYJFWDWNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-11-5-7-14(8-6-11)20-23(21,22)16-15(10-18-19-16)12-3-2-4-13(17)9-12/h2-10,20H,1H3,(H,18,19).
What are the key properties of 4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide?
4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 45283589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).