N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide

C26H28FN3O3S — CID 2742798

IUPACN-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide
SMILESCc1cc(C)cc(-n2nc(-c3cc(C(C)(C)C)oc3C)cc2NS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C26H28FN3O3S/c1-16-10-17(2)12-20(11-16)30-25(29-34(31,32)21-9-7-8-19(27)13-21)15-23(28-30)22-14-24(26(4,5)6)33-18(22)3/h7-15,29H,1-6H3
InChIKeyAKDVOLBWSPPZFW-UHFFFAOYSA-N
MW481.59 g/mol
LogP6.29
Rot. Bonds5

About N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide

N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide (PubChem CID 2742798) has the molecular formula C26H28FN3O3S and a molecular weight of 481.59 g/mol. Its IUPAC name is N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide
PubChem CID2742798
Molecular FormulaC26H28FN3O3S
Molecular Weight481.59 g/mol
Exact Mass481.18
IUPAC NameN-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide
SMILESCc1cc(C)cc(-n2nc(-c3cc(C(C)(C)C)oc3C)cc2NS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C26H28FN3O3S/c1-16-10-17(2)12-20(11-16)30-25(29-34(31,32)21-9-7-8-19(27)13-21)15-23(28-30)22-14-24(26(4,5)6)33-18(22)3/h7-15,29H,1-6H3
InChIKeyAKDVOLBWSPPZFW-UHFFFAOYSA-N
XLogP6.29
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-Tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine
CID 44526652
1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-(2-cyanophenyl)urea
CID 2742776
1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2742777
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-amine
CID 2742754
3-(5-Tert-butyl-2-methylfuran-3-yl)-1-(4-iodophenyl)pyrazol-5-amine
CID 2742755
4-[5-Amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
CID 2742753
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-(difluoromethyl)furan-2-sulfonamide
CID 167827040
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-5-fluoro-3-methyl-1-benzofuran-2-sulfonamide
CID 167843378
N-[5-(5-tert-butyl-2-methylfuran-3-yl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 2742267
4-[5-[2-(5-Amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
CID 3444456
4-[5-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
CID 5828198
1-(3,5-Dimethylphenyl)-3-(2-methylfuran-3-yl)pyrazol-5-amine
CID 16769496

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide (CID 2742798) is N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide is Cc1cc(C)cc(-n2nc(-c3cc(C(C)(C)C)oc3C)cc2NS(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide?
The InChIKey is AKDVOLBWSPPZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3S/c1-16-10-17(2)12-20(11-16)30-25(29-34(31,32)21-9-7-8-19(27)13-21)15-23(28-30)22-14-24(26(4,5)6)33-18(22)3/h7-15,29H,1-6H3.
What are the key properties of N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide?
N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide has a molecular weight of 481.59 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 2742798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).