2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide

C11H8ClF3N2O2S2 — CID 43455863

IUPAC2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCc1cccc(C(F)(F)F)c1)c1cnc(Cl)s1
InChIInChI=1S/C11H8ClF3N2O2S2/c12-10-16-6-9(20-10)21(18,19)17-5-7-2-1-3-8(4-7)11(13,14)15/h1-4,6,17H,5H2
InChIKeyMSGMMPAEPWNZMR-UHFFFAOYSA-N
MW356.78 g/mol
LogP3.29
Rot. Bonds4

About 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 43455863) has the molecular formula C11H8ClF3N2O2S2 and a molecular weight of 356.78 g/mol. Its IUPAC name is 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
PubChem CID43455863
Molecular FormulaC11H8ClF3N2O2S2
Molecular Weight356.78 g/mol
Exact Mass355.97
IUPAC Name2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCc1cccc(C(F)(F)F)c1)c1cnc(Cl)s1
InChIInChI=1S/C11H8ClF3N2O2S2/c12-10-16-6-9(20-10)21(18,19)17-5-7-2-1-3-8(4-7)11(13,14)15/h1-4,6,17H,5H2
InChIKeyMSGMMPAEPWNZMR-UHFFFAOYSA-N
XLogP3.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61401742
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 107230342
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 62880621
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61215673
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
2-chloro-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43566269
3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 3863030
8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
CID 3868587
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 116699344
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide
CID 32940502
N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
CID 61053150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide (CID 43455863) is 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide is O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is MSGMMPAEPWNZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2S2/c12-10-16-6-9(20-10)21(18,19)17-5-7-2-1-3-8(4-7)11(13,14)15/h1-4,6,17H,5H2.
What are the key properties of 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 356.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).