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

C19H19FN2O2S2 — CID 118362913

IUPACN,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H19FN2O2S2/c1-3-22(4-2)26(23,24)17-11-7-14(8-12-17)18-13-25-19(21-18)15-5-9-16(20)10-6-15/h5-13H,3-4H2,1-2H3
InChIKeyMQUJWSOMCRLOTA-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.65
Rot. Bonds6

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

N,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 118362913) has the molecular formula C19H19FN2O2S2 and a molecular weight of 390.51 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID118362913
Molecular FormulaC19H19FN2O2S2
Molecular Weight390.51 g/mol
Exact Mass390.09
IUPAC NameN,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H19FN2O2S2/c1-3-22(4-2)26(23,24)17-11-7-14(8-12-17)18-13-25-19(21-18)15-5-9-16(20)10-6-15/h5-13H,3-4H2,1-2H3
InChIKeyMQUJWSOMCRLOTA-UHFFFAOYSA-N
XLogP4.65
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide (CID 118362913) is N,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is MQUJWSOMCRLOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S2/c1-3-22(4-2)26(23,24)17-11-7-14(8-12-17)18-13-25-19(21-18)15-5-9-16(20)10-6-15/h5-13H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide?
N,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 118362913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).