4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide

C14H22N2O3S — CID 115969735

IUPAC4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H22N2O3S/c1-11(2)15-20(18,19)16-9-7-13(8-10-16)12-3-5-14(17)6-4-12/h3-6,11,13,15,17H,7-10H2,1-2H3
InChIKeyMLHWOEUWMPSYJT-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.81
Rot. Bonds4

About 4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide

4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 115969735) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID115969735
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H22N2O3S/c1-11(2)15-20(18,19)16-9-7-13(8-10-16)12-3-5-14(17)6-4-12/h3-6,11,13,15,17H,7-10H2,1-2H3
InChIKeyMLHWOEUWMPSYJT-UHFFFAOYSA-N
XLogP1.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide (CID 115969735) is 4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is MLHWOEUWMPSYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)15-20(18,19)16-9-7-13(8-10-16)12-3-5-14(17)6-4-12/h3-6,11,13,15,17H,7-10H2,1-2H3.
What are the key properties of 4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide?
4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 115969735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).