4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide

C15H24N2O3S — CID 114815531

IUPAC4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-12(2)11-16-21(19,20)17-9-7-14(8-10-17)13-3-5-15(18)6-4-13/h3-6,12,14,16,18H,7-11H2,1-2H3
InChIKeyAVSMQAXKJABQKN-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.06
Rot. Bonds5

About 4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide

4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide (PubChem CID 114815531) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide
PubChem CID114815531
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide
SMILESCC(C)CNS(=O)(=O)N1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-12(2)11-16-21(19,20)17-9-7-14(8-10-17)13-3-5-15(18)6-4-13/h3-6,12,14,16,18H,7-11H2,1-2H3
InChIKeyAVSMQAXKJABQKN-UHFFFAOYSA-N
XLogP2.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.06
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-(2-methylpropyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide (CID 114815531) is 4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide is CC(C)CNS(=O)(=O)N1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide?
The InChIKey is AVSMQAXKJABQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12(2)11-16-21(19,20)17-9-7-14(8-10-17)13-3-5-15(18)6-4-13/h3-6,12,14,16,18H,7-11H2,1-2H3.
What are the key properties of 4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide?
4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N-(2-methylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114815531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).