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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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).