N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide

C17H15F2N3O3S — CID 67663058

IUPACN-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-n2nc(C(F)F)cc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15F2N3O3S/c1-25-13-9-7-12(8-10-13)22-16(11-15(20-22)17(18)19)21-26(23,24)14-5-3-2-4-6-14/h2-11,17,21H,1H3
InChIKeyYLJBBWDCZQEFMF-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.62
Rot. Bonds6

About N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide

N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 67663058) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID67663058
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC NameN-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-n2nc(C(F)F)cc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15F2N3O3S/c1-25-13-9-7-12(8-10-13)22-16(11-15(20-22)17(18)19)21-26(23,24)14-5-3-2-4-6-14/h2-11,17,21H,1H3
InChIKeyYLJBBWDCZQEFMF-UHFFFAOYSA-N
XLogP3.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide (CID 67663058) is N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide is COc1ccc(-n2nc(C(F)F)cc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is YLJBBWDCZQEFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-25-13-9-7-12(8-10-13)22-16(11-15(20-22)17(18)19)21-26(23,24)14-5-3-2-4-6-14/h2-11,17,21H,1H3.
What are the key properties of N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide?
N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide has a molecular weight of 379.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67663058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).