N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

C20H17ClFN3O4S2 — CID 5234031

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H17ClFN3O4S2/c21-15-4-1-13(2-5-15)17-12-30-20(23-17)24-19(26)14-3-6-16(22)18(11-14)31(27,28)25-7-9-29-10-8-25/h1-6,11-12H,7-10H2,(H,23,24,26)
InChIKeyLONBUIZXZKVJDG-UHFFFAOYSA-N
MW481.96 g/mol
LogP3.88
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 5234031) has the molecular formula C20H17ClFN3O4S2 and a molecular weight of 481.96 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID5234031
Molecular FormulaC20H17ClFN3O4S2
Molecular Weight481.96 g/mol
Exact Mass481.03
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H17ClFN3O4S2/c21-15-4-1-13(2-5-15)17-12-30-20(23-17)24-19(26)14-3-6-16(22)18(11-14)31(27,28)25-7-9-29-10-8-25/h1-6,11-12H,7-10H2,(H,23,24,26)
InChIKeyLONBUIZXZKVJDG-UHFFFAOYSA-N
XLogP3.88
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (CID 5234031) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LONBUIZXZKVJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O4S2/c21-15-4-1-13(2-5-15)17-12-30-20(23-17)24-19(26)14-3-6-16(22)18(11-14)31(27,28)25-7-9-29-10-8-25/h1-6,11-12H,7-10H2,(H,23,24,26).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 481.96 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 5234031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).