4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide

C18H19BrN2O4S — CID 155556521

IUPAC4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H19BrN2O4S/c19-15-5-3-14(4-6-15)18(23)9-11-21(12-10-18)17(22)13-1-7-16(8-2-13)26(20,24)25/h1-8,23H,9-12H2,(H2,20,24,25)
InChIKeyZQLLUFSMXSIJQC-UHFFFAOYSA-N
MW439.33 g/mol
LogP2.22
Rot. Bonds3

About 4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide

4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide (PubChem CID 155556521) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide
PubChem CID155556521
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC Name4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H19BrN2O4S/c19-15-5-3-14(4-6-15)18(23)9-11-21(12-10-18)17(22)13-1-7-16(8-2-13)26(20,24)25/h1-8,23H,9-12H2,(H2,20,24,25)
InChIKeyZQLLUFSMXSIJQC-UHFFFAOYSA-N
XLogP2.22
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide (CID 155556521) is 4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is ZQLLUFSMXSIJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c19-15-5-3-14(4-6-15)18(23)9-11-21(12-10-18)17(22)13-1-7-16(8-2-13)26(20,24)25/h1-8,23H,9-12H2,(H2,20,24,25).
What are the key properties of 4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide?
4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 439.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)-4-hydroxypiperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 155556521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).