N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide

C20H19FN4O3S2 — CID 25405292

IUPACN-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=C(c1csc(NS(=O)(=O)c2ccccc2)n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H19FN4O3S2/c21-16-8-4-5-9-18(16)24-10-12-25(13-11-24)19(26)17-14-29-20(22-17)23-30(27,28)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,23)
InChIKeyYPPVKKZZJWCTLW-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.05
Rot. Bonds5

About N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide

N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 25405292) has the molecular formula C20H19FN4O3S2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID25405292
Molecular FormulaC20H19FN4O3S2
Molecular Weight446.53 g/mol
Exact Mass446.09
IUPAC NameN-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=C(c1csc(NS(=O)(=O)c2ccccc2)n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H19FN4O3S2/c21-16-8-4-5-9-18(16)24-10-12-25(13-11-24)19(26)17-14-29-20(22-17)23-30(27,28)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,23)
InChIKeyYPPVKKZZJWCTLW-UHFFFAOYSA-N
XLogP3.05
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide (CID 25405292) is N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide is O=C(c1csc(NS(=O)(=O)c2ccccc2)n1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is YPPVKKZZJWCTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S2/c21-16-8-4-5-9-18(16)24-10-12-25(13-11-24)19(26)17-14-29-20(22-17)23-30(27,28)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,23).
What are the key properties of N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide?
N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 446.53 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 25405292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).