4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide

C11H7ClF3N3O2S — CID 75505555

IUPAC4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H7ClF3N3O2S/c12-9-3-2-7(6-8(9)11(13,14)15)21(19,20)18-10-16-4-1-5-17-10/h1-6H,(H,16,17,18)
InChIKeyKEYFEAFDICQHCK-UHFFFAOYSA-N
MW337.71 g/mol
LogP2.95
Rot. Bonds3

About 4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 75505555) has the molecular formula C11H7ClF3N3O2S and a molecular weight of 337.71 g/mol. Its IUPAC name is 4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID75505555
Molecular FormulaC11H7ClF3N3O2S
Molecular Weight337.71 g/mol
Exact Mass336.99
IUPAC Name4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H7ClF3N3O2S/c12-9-3-2-7(6-8(9)11(13,14)15)21(19,20)18-10-16-4-1-5-17-10/h1-6H,(H,16,17,18)
InChIKeyKEYFEAFDICQHCK-UHFFFAOYSA-N
XLogP2.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765
4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56532242
4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536176
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
N-[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 57382886
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
4-chloro-N-(5-chloro-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67972012
4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038451
4-chloro-N-(4-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038589
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide (CID 75505555) is 4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ncccn1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KEYFEAFDICQHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O2S/c12-9-3-2-7(6-8(9)11(13,14)15)21(19,20)18-10-16-4-1-5-17-10/h1-6H,(H,16,17,18).
What are the key properties of 4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 337.71 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 75505555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).