N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C18H15ClFN3O3S2 — CID 89493904

IUPACN-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)s1
InChIInChI=1S/C18H15ClFN3O3S2/c1-10-17(27-18(21-10)22-11(2)24)12-3-8-15(19)16(9-12)28(25,26)23-14-6-4-13(20)5-7-14/h3-9,23H,1-2H3,(H,21,22,24)
InChIKeyNSZMXUXTPZEXIU-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.67
Rot. Bonds5

About N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 89493904) has the molecular formula C18H15ClFN3O3S2 and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID89493904
Molecular FormulaC18H15ClFN3O3S2
Molecular Weight439.92 g/mol
Exact Mass439.02
IUPAC NameN-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)s1
InChIInChI=1S/C18H15ClFN3O3S2/c1-10-17(27-18(21-10)22-11(2)24)12-3-8-15(19)16(9-12)28(25,26)23-14-6-4-13(20)5-7-14/h3-9,23H,1-2H3,(H,21,22,24)
InChIKeyNSZMXUXTPZEXIU-UHFFFAOYSA-N
XLogP4.67
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 89493904) is N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)s1.
What is the InChIKey of N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is NSZMXUXTPZEXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S2/c1-10-17(27-18(21-10)22-11(2)24)12-3-8-15(19)16(9-12)28(25,26)23-14-6-4-13(20)5-7-14/h3-9,23H,1-2H3,(H,21,22,24).
What are the key properties of N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 439.92 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-chloro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 89493904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).