4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide

C17H15ClFN3O2S — CID 2093597

IUPAC4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFN3O2S/c1-11-17(21-25(23,24)16-9-3-13(18)4-10-16)12(2)22(20-11)15-7-5-14(19)6-8-15/h3-10,21H,1-2H3
InChIKeyCITLAZVCZKSNTI-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.08
Rot. Bonds4

About 4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide

4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide (PubChem CID 2093597) has the molecular formula C17H15ClFN3O2S and a molecular weight of 379.84 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
PubChem CID2093597
Molecular FormulaC17H15ClFN3O2S
Molecular Weight379.84 g/mol
Exact Mass379.06
IUPAC Name4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClFN3O2S/c1-11-17(21-25(23,24)16-9-3-13(18)4-10-16)12(2)22(20-11)15-7-5-14(19)6-8-15/h3-10,21H,1-2H3
InChIKeyCITLAZVCZKSNTI-UHFFFAOYSA-N
XLogP4.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-5-chloro-3-methylpyrazol-1-yl)-N-phenylbenzenesulfonamide
CID 145973289
4-(4-bromo-5-chloro-3-methylpyrazol-1-yl)-N-(4-chlorophenyl)benzenesulfonamide
CID 155559305
N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 972247
4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3306623
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 7677838
4-chloro-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)benzenesulfonamide
CID 8721869
4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide
CID 11247085
4-chloro-N'-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]benzenesulfonohydrazide
CID 5431794
4-[5-(4-Chlorophenyl)-3-methyl-1H-pyrazol-1-yl]benzenesulfonamide
CID 17780111
3-chloro-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide
CID 118512797
5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride
CID 79016469
5-chloro-3-ethyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride
CID 82918785

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide (CID 2093597) is 4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide is Cc1nn(-c2ccc(F)cc2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide?
The InChIKey is CITLAZVCZKSNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2S/c1-11-17(21-25(23,24)16-9-3-13(18)4-10-16)12(2)22(20-11)15-7-5-14(19)6-8-15/h3-10,21H,1-2H3.
What are the key properties of 4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide?
4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide has a molecular weight of 379.84 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 2093597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).