N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide

C17H15F6N3O4S2 — CID 87545409

IUPACN-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C17H15F6N3O4S2/c18-16(19,20)10-1-2-13(12(7-10)17(21,22)23)32(28,29)25-15-24-11(9-31-15)8-14(27)26-3-5-30-6-4-26/h1-2,7,9H,3-6,8H2,(H,24,25)
InChIKeyKDWZXHHMVXZGSZ-UHFFFAOYSA-N
MW503.45 g/mol
LogP3.38
Rot. Bonds5

About N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide

N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 87545409) has the molecular formula C17H15F6N3O4S2 and a molecular weight of 503.45 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
PubChem CID87545409
Molecular FormulaC17H15F6N3O4S2
Molecular Weight503.45 g/mol
Exact Mass503.04
IUPAC NameN-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)n1)N1CCOCC1
InChIInChI=1S/C17H15F6N3O4S2/c18-16(19,20)10-1-2-13(12(7-10)17(21,22)23)32(28,29)25-15-24-11(9-31-15)8-14(27)26-3-5-30-6-4-26/h1-2,7,9H,3-6,8H2,(H,24,25)
InChIKeyKDWZXHHMVXZGSZ-UHFFFAOYSA-N
XLogP3.38
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 10174476
N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 142673538
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 59802440
1-morpholin-4-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 18152175
4-(5-chloro-2H-thiophen-5-yl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 142679225
1-pyrrolidin-1-yl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 27377781
4-[3,5-bis(trifluoromethyl)phenyl]-N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 11490119
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 30940520
1-[2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 27377791
4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41160059
N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27548713
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide (CID 87545409) is N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide is O=C(Cc1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)n1)N1CCOCC1.
What is the InChIKey of N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is KDWZXHHMVXZGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6N3O4S2/c18-16(19,20)10-1-2-13(12(7-10)17(21,22)23)32(28,29)25-15-24-11(9-31-15)8-14(27)26-3-5-30-6-4-26/h1-2,7,9H,3-6,8H2,(H,24,25).
What are the key properties of N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide?
N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 503.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 87545409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).