N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide

C19H18N6O5S — CID 56502756

IUPACN-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide
SMILESO=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H18N6O5S/c26-19(18-11-12-24(22-18)15-5-7-16(8-6-15)25(27)28)21-20-13-3-9-17(10-4-13)31(29,30)23-14-1-2-14/h3-12,14,20,23H,1-2H2,(H,21,26)
InChIKeySQYFNXIJILPSCP-UHFFFAOYSA-N
MW442.46 g/mol
LogP1.98
Rot. Bonds8

About N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide

N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide (PubChem CID 56502756) has the molecular formula C19H18N6O5S and a molecular weight of 442.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide
PubChem CID56502756
Molecular FormulaC19H18N6O5S
Molecular Weight442.46 g/mol
Exact Mass442.11
IUPAC NameN-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide
SMILESO=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H18N6O5S/c26-19(18-11-12-24(22-18)15-5-7-16(8-6-15)25(27)28)21-20-13-3-9-17(10-4-13)31(29,30)23-14-1-2-14/h3-12,14,20,23H,1-2H2,(H,21,26)
InChIKeySQYFNXIJILPSCP-UHFFFAOYSA-N
XLogP1.98
TPSA148.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide (CID 56502756) is N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide is O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide?
The InChIKey is SQYFNXIJILPSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O5S/c26-19(18-11-12-24(22-18)15-5-7-16(8-6-15)25(27)28)21-20-13-3-9-17(10-4-13)31(29,30)23-14-1-2-14/h3-12,14,20,23H,1-2H2,(H,21,26).
What are the key properties of N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide?
N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide has a molecular weight of 442.46 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 56502756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).