N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide

C17H18F3N3O3S — CID 90633549

IUPACN-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O3S/c18-17(19,20)12-2-8-15(9-3-12)27(24,25)23-13-4-6-14(7-5-13)26-16-21-10-1-11-22-16/h1-3,8-11,13-14,23H,4-7H2
InChIKeyACLDIQLLYSDXOG-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.16
Rot. Bonds5

About N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide

N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 90633549) has the molecular formula C17H18F3N3O3S and a molecular weight of 401.41 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID90633549
Molecular FormulaC17H18F3N3O3S
Molecular Weight401.41 g/mol
Exact Mass401.10
IUPAC NameN-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3N3O3S/c18-17(19,20)12-2-8-15(9-3-12)27(24,25)23-13-4-6-14(7-5-13)26-16-21-10-1-11-22-16/h1-3,8-11,13-14,23H,4-7H2
InChIKeyACLDIQLLYSDXOG-UHFFFAOYSA-N
XLogP3.16
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 90314566
N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]pyridine-3-sulfonamide
CID 91626441
4-methyl-N-[1-(pyrimidin-2-yl)piperidin-4-yl]benzene-1-sulfonamide
CID 23609654
4-cyano-N-[(1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl]benzene-1-sulfonamide
CID 91626350
N-benzyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 25073831
N-(2,5-difluorophenyl)-4-[2-(oxan-4-yl)pyrimidin-5-yl]benzenesulfonamide
CID 141437581
2-(Pyrimidin-2-yloxymethyl)-4-[4-(trifluoromethyl)phenyl]sulfonylmorpholine
CID 3846157
N-((1-(pyrimidin-2-yl)piperidin-4-yl)methyl)-4-(trifluoromethyl)benzenesulfonamide
CID 49684523
N-(1-pyrimidin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 55906362
N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 55914292
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 56280869
4-fluoro-N-[(2S,3S)-3-hydroxy-1-phenyl-4-pyrimidin-2-ylsulfanylbutan-2-yl]benzenesulfonamide
CID 56931725

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide (CID 90633549) is N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ACLDIQLLYSDXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S/c18-17(19,20)12-2-8-15(9-3-12)27(24,25)23-13-4-6-14(7-5-13)26-16-21-10-1-11-22-16/h1-3,8-11,13-14,23H,4-7H2.
What are the key properties of N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 401.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxycyclohexyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90633549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).