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

C17H18N4O3S — CID 91626350

IUPAC4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCC(Oc3ncccn3)CC2)cc1
InChIInChI=1S/C17H18N4O3S/c18-12-13-2-8-16(9-3-13)25(22,23)21-14-4-6-15(7-5-14)24-17-19-10-1-11-20-17/h1-3,8-11,14-15,21H,4-7H2
InChIKeyZPTHCIAHOUJVEM-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.02
Rot. Bonds5

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

4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide (PubChem CID 91626350) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
PubChem CID91626350
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCC(Oc3ncccn3)CC2)cc1
InChIInChI=1S/C17H18N4O3S/c18-12-13-2-8-16(9-3-13)25(22,23)21-14-4-6-15(7-5-14)24-17-19-10-1-11-20-17/h1-3,8-11,14-15,21H,4-7H2
InChIKeyZPTHCIAHOUJVEM-UHFFFAOYSA-N
XLogP2.02
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide (CID 91626350) is 4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCC(Oc3ncccn3)CC2)cc1.
What is the InChIKey of 4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The InChIKey is ZPTHCIAHOUJVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c18-12-13-2-8-16(9-3-13)25(22,23)21-14-4-6-15(7-5-14)24-17-19-10-1-11-20-17/h1-3,8-11,14-15,21H,4-7H2.
What are the key properties of 4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 91626350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).