N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide

C16H13ClN4O3S — CID 4885252

IUPACN'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H13ClN4O3S/c17-12-6-8-13(9-7-12)25(23,24)21-20-16(22)15-10-14(18-19-15)11-4-2-1-3-5-11/h1-10,21H,(H,18,19)(H,20,22)
InChIKeyBZSNVEVMHIOZQC-UHFFFAOYSA-N
MW376.83 g/mol
LogP2.35
Rot. Bonds5

About N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide

N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 4885252) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID4885252
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC NameN'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H13ClN4O3S/c17-12-6-8-13(9-7-12)25(23,24)21-20-16(22)15-10-14(18-19-15)11-4-2-1-3-5-11/h1-10,21H,(H,18,19)(H,20,22)
InChIKeyBZSNVEVMHIOZQC-UHFFFAOYSA-N
XLogP2.35
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 4885252) is N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is BZSNVEVMHIOZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c17-12-6-8-13(9-7-12)25(23,24)21-20-16(22)15-10-14(18-19-15)11-4-2-1-3-5-11/h1-10,21H,(H,18,19)(H,20,22).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide?
N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 376.83 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 4885252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).