4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide

C16H14ClN5O3S — CID 166610848

IUPAC4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESNNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C16H14ClN5O3S/c17-11-3-1-10(2-4-11)15-9-14(16(23)20-18)21-22(15)12-5-7-13(8-6-12)26(19,24)25/h1-9H,18H2,(H,20,23)(H2,19,24,25)
InChIKeyQXESCQZBBXOUKY-UHFFFAOYSA-N
MW391.84 g/mol
LogP1.44
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 166610848) has the molecular formula C16H14ClN5O3S and a molecular weight of 391.84 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID166610848
Molecular FormulaC16H14ClN5O3S
Molecular Weight391.84 g/mol
Exact Mass391.05
IUPAC Name4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESNNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C16H14ClN5O3S/c17-11-3-1-10(2-4-11)15-9-14(16(23)20-18)21-22(15)12-5-7-13(8-6-12)26(19,24)25/h1-9H,18H2,(H,20,23)(H2,19,24,25)
InChIKeyQXESCQZBBXOUKY-UHFFFAOYSA-N
XLogP1.44
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide (CID 166610848) is 4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide is NNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is QXESCQZBBXOUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O3S/c17-11-3-1-10(2-4-11)15-9-14(16(23)20-18)21-22(15)12-5-7-13(8-6-12)26(19,24)25/h1-9H,18H2,(H,20,23)(H2,19,24,25).
What are the key properties of 4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 391.84 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 166610848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).