2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide

C18H13ClF3N3O2S — CID 122262182

IUPAC2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)ncn1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H13ClF3N3O2S/c19-15-7-6-13(18(20,21)22)8-17(15)28(26,27)25-10-14-9-16(24-11-23-14)12-4-2-1-3-5-12/h1-9,11,25H,10H2
InChIKeyUVZUMIFKUZHMOX-UHFFFAOYSA-N
MW427.84 g/mol
LogP4.29
Rot. Bonds5

About 2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 122262182) has the molecular formula C18H13ClF3N3O2S and a molecular weight of 427.84 g/mol. Its IUPAC name is 2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID122262182
Molecular FormulaC18H13ClF3N3O2S
Molecular Weight427.84 g/mol
Exact Mass427.04
IUPAC Name2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)ncn1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H13ClF3N3O2S/c19-15-7-6-13(18(20,21)22)8-17(15)28(26,27)25-10-14-9-16(24-11-23-14)12-4-2-1-3-5-12/h1-9,11,25H,10H2
InChIKeyUVZUMIFKUZHMOX-UHFFFAOYSA-N
XLogP4.29
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262163
2-fluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262156
N-[(6-phenylpyrimidin-4-yl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 122262229
2-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 122262679
4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262233
3-chloro-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 122263199
2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 35389490
3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 122262152
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
N-(2-bromoprop-2-enyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide
CID 113465018
2-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 30366267
2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120721746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide (CID 122262182) is 2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1cc(-c2ccccc2)ncn1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UVZUMIFKUZHMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2S/c19-15-7-6-13(18(20,21)22)8-17(15)28(26,27)25-10-14-9-16(24-11-23-14)12-4-2-1-3-5-12/h1-9,11,25H,10H2.
What are the key properties of 2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 427.84 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-phenylpyrimidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 122262182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).