N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide

C16H14FN3O3S — CID 171618026

IUPACN-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(O)c(-n3cc(F)cn3)c2)cc1
InChIInChI=1S/C16H14FN3O3S/c1-11-2-5-14(6-3-11)24(22,23)19-13-4-7-16(21)15(8-13)20-10-12(17)9-18-20/h2-10,19,21H,1H3
InChIKeyGDERDUQUEVWPFU-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.83
Rot. Bonds4

About N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide

N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide (PubChem CID 171618026) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide
PubChem CID171618026
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(O)c(-n3cc(F)cn3)c2)cc1
InChIInChI=1S/C16H14FN3O3S/c1-11-2-5-14(6-3-11)24(22,23)19-13-4-7-16(21)15(8-13)20-10-12(17)9-18-20/h2-10,19,21H,1H3
InChIKeyGDERDUQUEVWPFU-UHFFFAOYSA-N
XLogP2.83
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide (CID 171618026) is N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-n3cc(F)cn3)c2)cc1.
What is the InChIKey of N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide?
The InChIKey is GDERDUQUEVWPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-11-2-5-14(6-3-11)24(22,23)19-13-4-7-16(21)15(8-13)20-10-12(17)9-18-20/h2-10,19,21H,1H3.
What are the key properties of N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide?
N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide has a molecular weight of 347.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluoropyrazol-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 171618026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).