4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide

C15H13N5O4S — CID 14615587

IUPAC4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C15H13N5O4S/c16-11-1-7-14(8-2-11)25(23,24)18-15-9-10-19(17-15)12-3-5-13(6-4-12)20(21)22/h1-10H,16H2,(H,17,18)
InChIKeyVEWIIQZBSOQNJK-UHFFFAOYSA-N
MW359.37 g/mol
LogP2.16
Rot. Bonds5

About 4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide

4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 14615587) has the molecular formula C15H13N5O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is 4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID14615587
Molecular FormulaC15H13N5O4S
Molecular Weight359.37 g/mol
Exact Mass359.07
IUPAC Name4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1
InChIInChI=1S/C15H13N5O4S/c16-11-1-7-14(8-2-11)25(23,24)18-15-9-10-19(17-15)12-3-5-13(6-4-12)20(21)22/h1-10H,16H2,(H,17,18)
InChIKeyVEWIIQZBSOQNJK-UHFFFAOYSA-N
XLogP2.16
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 14615578
4-amino-N,N-di(propan-2-yl)benzenesulfonamide;4-nitro-N,N-di(propan-2-yl)benzenesulfonamide
CID 163672209
4-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 127501672
4-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzenesulfonamide
CID 25499389
3-(chloromethyl)-1-(4-nitrophenyl)pyrazole
CID 13384024
4-nitro-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 48928565
N-(6-bromo-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 43520632
methanamine;4-nitroaniline
CID 22708932
sodium;hydride;4-nitroaniline
CID 174897540
N-cyclopropyl-4-[2-[1-(4-nitrophenyl)pyrazole-3-carbonyl]hydrazinyl]benzenesulfonamide
CID 56502756
4-nitro-N-(2,3,4,5,6-pentamethylphenyl)benzenesulfonamide
CID 101434436
N-methyl-N'-(4-nitrophenyl)sulfonyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 3847354

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide (CID 14615587) is 4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1.
What is the InChIKey of 4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is VEWIIQZBSOQNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S/c16-11-1-7-14(8-2-11)25(23,24)18-15-9-10-19(17-15)12-3-5-13(6-4-12)20(21)22/h1-10H,16H2,(H,17,18).
What are the key properties of 4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide?
4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-nitrophenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 14615587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).