N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide

C19H20FN3O2S — CID 22202072

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c(C)c1
InChIInChI=1S/C19H20FN3O2S/c1-13-8-14(2)19(15(3)9-13)26(24,25)22-18-10-21-23(12-18)11-16-4-6-17(20)7-5-16/h4-10,12,22H,11H2,1-3H3
InChIKeyPPQVSPPPGQRDQX-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.80
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 22202072) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID22202072
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c(C)c1
InChIInChI=1S/C19H20FN3O2S/c1-13-8-14(2)19(15(3)9-13)26(24,25)22-18-10-21-23(12-18)11-16-4-6-17(20)7-5-16/h4-10,12,22H,11H2,1-3H3
InChIKeyPPQVSPPPGQRDQX-UHFFFAOYSA-N
XLogP3.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-(3,5-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022086
N-(2-ethyl-6-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022099
N~1~-(4-fluoro-2-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022103
N-(2,4-dimethylphenyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914791
N-[(4-Fluorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914802
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
US9156811, Ddd99832
CID 58561078
US9156811, Ddd99827
CID 58561225
US9156811, Ddd99816
CID 58561239
N-(3-fluoro-4-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914807
4-[1-(2,4-difluorophenyl)-4-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pyrazol-3-yl]-N,N-dimethyl-benzenesulfonamide
CID 72546534

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide (CID 22202072) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c(C)c1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is PPQVSPPPGQRDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-13-8-14(2)19(15(3)9-13)26(24,25)22-18-10-21-23(12-18)11-16-4-6-17(20)7-5-16/h4-10,12,22H,11H2,1-3H3.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 373.45 g/mol, XLogP of 3.80, 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]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 22202072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).