4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

C15H13N5O4S — CID 6539630

IUPAC4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1
InChIInChI=1S/C15H13N5O4S/c16-25(23,24)13-7-3-11(4-8-13)17-15-9-14(18-19-15)10-1-5-12(6-2-10)20(21)22/h1-9H,(H2,16,23,24)(H2,17,18,19)
InChIKeyRKKHUCNMQPWUKF-UHFFFAOYSA-N
MW359.37 g/mol
LogP2.38
Rot. Bonds5

About 4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide

4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (PubChem CID 6539630) has the molecular formula C15H13N5O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is 4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
PubChem CID6539630
Molecular FormulaC15H13N5O4S
Molecular Weight359.37 g/mol
Exact Mass359.07
IUPAC Name4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1
InChIInChI=1S/C15H13N5O4S/c16-25(23,24)13-7-3-11(4-8-13)17-15-9-14(18-19-15)10-1-5-12(6-2-10)20(21)22/h1-9H,(H2,16,23,24)(H2,17,18,19)
InChIKeyRKKHUCNMQPWUKF-UHFFFAOYSA-N
XLogP2.38
TPSA144.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

4-{[3-(4-aminophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539618
4-{[3-(4-bromophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539616
4-{[3-(3-methanesulfonamidophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539621
4-{[3-(3-benzenesulfonamidophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539623
4-{[3-(3-bromophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539624
4-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539627
4-{[3-(3-aminophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539632
3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539626
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-4-nitro-benzenesulfonamide
CID 12018679
4-nitro-N-(3-(6-(pyrrolidin-1-yl)pyridazin-3-yl)phenyl)benzenesulfonamide
CID 18575101
4-nitro-N-(4-(6-(pyrrolidin-1-yl)pyridazin-3-yl)phenyl)benzenesulfonamide
CID 18575107
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-2-nitro-benzenesulfonamide
CID 44313061

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (CID 6539630) is 4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1.
What is the InChIKey of 4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The InChIKey is RKKHUCNMQPWUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S/c16-25(23,24)13-7-3-11(4-8-13)17-15-9-14(18-19-15)10-1-5-12(6-2-10)20(21)22/h1-9H,(H2,16,23,24)(H2,17,18,19).
What are the key properties of 4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide has a molecular weight of 359.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-nitrophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 6539630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).