4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide

C30H27BrFN3O6S — CID 90309190

IUPAC4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Br)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C30H27BrFN3O6S/c31-21-3-1-20(2-4-21)30(37)13-15-35(16-14-30)29(36)34-23-17-26(40-24-7-5-22(32)6-8-24)19-27(18-23)41-25-9-11-28(12-10-25)42(33,38)39/h1-12,17-19,37H,13-16H2,(H,34,36)(H2,33,38,39)
InChIKeyREIOAPOLQUKXJF-UHFFFAOYSA-N
MW656.53 g/mol
LogP6.34
Rot. Bonds7

About 4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide

4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 90309190) has the molecular formula C30H27BrFN3O6S and a molecular weight of 656.53 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID90309190
Molecular FormulaC30H27BrFN3O6S
Molecular Weight656.53 g/mol
Exact Mass655.08
IUPAC Name4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Br)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C30H27BrFN3O6S/c31-21-3-1-20(2-4-21)30(37)13-15-35(16-14-30)29(36)34-23-17-26(40-24-7-5-22(32)6-8-24)19-27(18-23)41-25-9-11-28(12-10-25)42(33,38)39/h1-12,17-19,37H,13-16H2,(H,34,36)(H2,33,38,39)
InChIKeyREIOAPOLQUKXJF-UHFFFAOYSA-N
XLogP6.34
TPSA131.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.53
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenoxy)phenyl]-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 90309054
4-(4-bromophenyl)-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072100
N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072136
N-[3-(4-carbamoylphenoxy)-5-(4-fluorophenoxy)phenyl]-4-cycloheptyl-4-hydroxypiperidine-1-carboxamide
CID 90308950
2-[4-[3-(4-fluorophenoxy)-5-[(4-hydroxy-4-pentan-3-ylpiperidine-1-carbonyl)amino]phenoxy]phenyl]-2-methylbutanoic acid
CID 90309572
4-(4-bromophenyl)-N-(3-ethenylphenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072025
N-[3-chloro-5-(4-fluorophenoxy)phenyl]-4-(2-ethylbutyl)-4-hydroxypiperidine-1-carboxamide
CID 118728426
methyl 3-(4-fluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]benzoate
CID 90309253
N-[3-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxamide
CID 155322993
4-(4-bromophenyl)-N-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23072127
4-[(4-fluorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 55647465
1-[4-[3-(3,4-difluorophenoxy)-5-[[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]amino]phenoxy]phenyl]cyclopropane-1-carboxylic acid
CID 90343681

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide (CID 90309190) is 4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide is NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Br)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is REIOAPOLQUKXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27BrFN3O6S/c31-21-3-1-20(2-4-21)30(37)13-15-35(16-14-30)29(36)34-23-17-26(40-24-7-5-22(32)6-8-24)19-27(18-23)41-25-9-11-28(12-10-25)42(33,38)39/h1-12,17-19,37H,13-16H2,(H,34,36)(H2,33,38,39).
What are the key properties of 4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide?
4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 656.53 g/mol, XLogP of 6.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[3-(4-fluorophenoxy)-5-(4-sulfamoylphenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 90309190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).