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

C16H19N3O3S — CID 90633513

IUPACN-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C16H19N3O3S/c20-23(21,15-5-2-1-3-6-15)19-13-7-9-14(10-8-13)22-16-17-11-4-12-18-16/h1-6,11-14,19H,7-10H2
InChIKeyUHEBCGFLTXXEJG-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.15
Rot. Bonds5

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

N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide (PubChem CID 90633513) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
PubChem CID90633513
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C16H19N3O3S/c20-23(21,15-5-2-1-3-6-15)19-13-7-9-14(10-8-13)22-16-17-11-4-12-18-16/h1-6,11-14,19H,7-10H2
InChIKeyUHEBCGFLTXXEJG-UHFFFAOYSA-N
XLogP2.15
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 91626438
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopropanesulfonamide
CID 91626345
N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-sulfonamide
CID 91626336
N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide
CID 90633512
3,5-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1,2-oxazole-4-sulfonamide
CID 91626338
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
1,3,5-trimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-4-sulfonamide
CID 91626349
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
CID 20607230
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90634047
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-4-propan-2-yloxybenzenesulfonamide
CID 90634090

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The IUPAC name of N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide (CID 90633513) is N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide is O=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1ccccc1.
What is the InChIKey of N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The InChIKey is UHEBCGFLTXXEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-23(21,15-5-2-1-3-6-15)19-13-7-9-14(10-8-13)22-16-17-11-4-12-18-16/h1-6,11-14,19H,7-10H2.
What are the key properties of N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.15, 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)benzenesulfonamide is sourced from PubChem (CID 90633513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).