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

C15H13FN4O3S — CID 135435019

IUPAC4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cc(-c3ccc(O)c(F)c3)[nH]n2)cc1
InChIInChI=1S/C15H13FN4O3S/c16-12-7-9(1-6-14(12)21)13-8-15(20-19-13)18-10-2-4-11(5-3-10)24(17,22)23/h1-8,21H,(H2,17,22,23)(H2,18,19,20)
InChIKeyQVUJFGWIMPTAEH-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.31
Rot. Bonds4

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

4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (PubChem CID 135435019) has the molecular formula C15H13FN4O3S and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
PubChem CID135435019
Molecular FormulaC15H13FN4O3S
Molecular Weight348.36 g/mol
Exact Mass348.07
IUPAC Name4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cc(-c3ccc(O)c(F)c3)[nH]n2)cc1
InChIInChI=1S/C15H13FN4O3S/c16-12-7-9(1-6-14(12)21)13-8-15(20-19-13)18-10-2-4-11(5-3-10)24(17,22)23/h1-8,21H,(H2,17,22,23)(H2,18,19,20)
InChIKeyQVUJFGWIMPTAEH-UHFFFAOYSA-N
XLogP2.31
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539619
4-{[3-(3-hydroxyphenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539620
4-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539629
4-{5-[(4-Hydroxyphenyl)amino]-1h-Pyrazol-3-Yl}phenol
CID 135567152
4-[5-(3-Fluoro-4-hydroxyphenyl)-3-(fluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 136465133
2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol
CID 139391695
4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol
CID 139391706
4-fluoro-N-[4-[3-(4-hydroxy-2-methylanilino)-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
CID 139391819
2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
CID 139391905
4-fluoro-N-[4-[[5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-yl]amino]phenyl]benzenesulfonamide
CID 139391938
[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid
CID 139392003
4-[3-(2-ethyl-4-hydroxyanilino)-1H-pyrazol-5-yl]-2-fluorophenol
CID 139392019

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide (CID 135435019) is 4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2cc(-c3ccc(O)c(F)c3)[nH]n2)cc1.
What is the InChIKey of 4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
The InChIKey is QVUJFGWIMPTAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3S/c16-12-7-9(1-6-14(12)21)13-8-15(20-19-13)18-10-2-4-11(5-3-10)24(17,22)23/h1-8,21H,(H2,17,22,23)(H2,18,19,20).
What are the key properties of 4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide?
4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide has a molecular weight of 348.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 135435019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).