N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide

C17H16FN3O2S — CID 22202037

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-13-2-8-17(9-3-13)24(22,23)20-16-10-19-21(12-16)11-14-4-6-15(18)7-5-14/h2-10,12,20H,11H2,1H3
InChIKeyKXGWEWLSTLXDGA-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.18
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide (PubChem CID 22202037) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
PubChem CID22202037
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C17H16FN3O2S/c1-13-2-8-17(9-3-13)24(22,23)20-16-10-19-21(12-16)11-14-4-6-15(18)7-5-14/h2-10,12,20H,11H2,1H3
InChIKeyKXGWEWLSTLXDGA-UHFFFAOYSA-N
XLogP3.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide (CID 22202037) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is KXGWEWLSTLXDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-13-2-8-17(9-3-13)24(22,23)20-16-10-19-21(12-16)11-14-4-6-15(18)7-5-14/h2-10,12,20H,11H2,1H3.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 22202037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).