3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide

C15H13FN4O2S — CID 6539626

IUPAC3-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESC1=CC(=CC(=C1)S(=O)(=O)N)NC2=NNC(=C2)C3=CC=C(C=C3)F
InChIInChI=1S/C15H13FN4O2S/c16-11-6-4-10(5-7-11)14-9-15(20-19-14)18-12-2-1-3-13(8-12)23(17,21)22/h1-9H,(H2,17,21,22)(H2,18,19,20)
InChIKeyKTEUANCPUUWBLK-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.40
Rot. Bonds4

About 3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide

3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide (PubChem CID 6539626) has the molecular formula C15H13FN4O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
PubChem CID6539626
Molecular FormulaC15H13FN4O2S
Molecular Weight332.40 g/mol
Exact Mass332.07
IUPAC Name3-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESC1=CC(=CC(=C1)S(=O)(=O)N)NC2=NNC(=C2)C3=CC=C(C=C3)F
InChIInChI=1S/C15H13FN4O2S/c16-11-6-4-10(5-7-11)14-9-15(20-19-14)18-12-2-1-3-13(8-12)23(17,21)22/h1-9H,(H2,17,21,22)(H2,18,19,20)
InChIKeyKTEUANCPUUWBLK-UHFFFAOYSA-N
XLogP2.40
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity490

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[3-(4-aminophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539618
4-{[3-(4-nitrophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539630
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
Anilinopyrazole deriv. 1n
CID 6539622
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
N''-(2,5-difluorophenyl)sulfonyl-N-(5-methyl-2-phenyl-3-pyrazolyl)benzenecarboximidamide
CID 6216001
N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-4-fluoro-benzenesulfonamide
CID 44312955
3-Amino-N-[4-(5-amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-benzenesulfonamide
CID 44313039

Frequently Asked Questions

What is the IUPAC name of 3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide?
The IUPAC name of 3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide (CID 6539626) is 3-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide?
The canonical SMILES for 3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide is C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NNC(=C2)C3=CC=C(C=C3)F.
What is the InChIKey of 3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide?
The InChIKey is KTEUANCPUUWBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c16-11-6-4-10(5-7-11)14-9-15(20-19-14)18-12-2-1-3-13(8-12)23(17,21)22/h1-9H,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide?
3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide has a molecular weight of 332.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide is sourced from PubChem (CID 6539626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).