N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide

C22H20F2N4O3S — CID 71730413

IUPACN-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1
InChIInChI=1S/C22H20F2N4O3S/c1-14(2)31-15-8-10-16(11-9-15)32(29,30)27-21-13-19(22(23)24)26-28(21)20-7-3-6-18-17(20)5-4-12-25-18/h3-14,22,27H,1-2H3
InChIKeyUDYPCDHSTZIIKE-UHFFFAOYSA-N
MW458.49 g/mol
LogP4.95
Rot. Bonds7

About N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide

N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 71730413) has the molecular formula C22H20F2N4O3S and a molecular weight of 458.49 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID71730413
Molecular FormulaC22H20F2N4O3S
Molecular Weight458.49 g/mol
Exact Mass458.12
IUPAC NameN-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1
InChIInChI=1S/C22H20F2N4O3S/c1-14(2)31-15-8-10-16(11-9-15)32(29,30)27-21-13-19(22(23)24)26-28(21)20-7-3-6-18-17(20)5-4-12-25-18/h3-14,22,27H,1-2H3
InChIKeyUDYPCDHSTZIIKE-UHFFFAOYSA-N
XLogP4.95
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide (CID 71730413) is N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.
What is the InChIKey of N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is UDYPCDHSTZIIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3S/c1-14(2)31-15-8-10-16(11-9-15)32(29,30)27-21-13-19(22(23)24)26-28(21)20-7-3-6-18-17(20)5-4-12-25-18/h3-14,22,27H,1-2H3.
What are the key properties of N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide?
N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 458.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 71730413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).