1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine

C15H13BrClNO3S — CID 134367190

IUPAC1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine
SMILESO=S(=O)(c1ccc(Br)c(Cl)c1)N1CC(Oc2ccccc2)C1
InChIInChI=1S/C15H13BrClNO3S/c16-14-7-6-13(8-15(14)17)22(19,20)18-9-12(10-18)21-11-4-2-1-3-5-11/h1-8,12H,9-10H2
InChIKeyGUQDTCQTKKPEGA-UHFFFAOYSA-N
MW402.70 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine

1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine (PubChem CID 134367190) has the molecular formula C15H13BrClNO3S and a molecular weight of 402.70 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine
PubChem CID134367190
Molecular FormulaC15H13BrClNO3S
Molecular Weight402.70 g/mol
Exact Mass400.95
IUPAC Name1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine
SMILESO=S(=O)(c1ccc(Br)c(Cl)c1)N1CC(Oc2ccccc2)C1
InChIInChI=1S/C15H13BrClNO3S/c16-14-7-6-13(8-15(14)17)22(19,20)18-9-12(10-18)21-11-4-2-1-3-5-11/h1-8,12H,9-10H2
InChIKeyGUQDTCQTKKPEGA-UHFFFAOYSA-N
XLogP3.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.70
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-chlorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 134367202
7-[3-(3-chlorophenoxy)azetidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 44573160
4-(4-chlorophenyl)sulfonyl-6-phenoxy-1,4-oxazepane
CID 162906955
7-[3-(2-chlorophenoxy)azetidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 44573159
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenoxypiperidine
CID 110396758
1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
CID 110358894
7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline
CID 167965181
(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411226
1-bromo-4-(4-bromo-3-chlorophenyl)sulfonyl-2-chlorobenzene
CID 2388443
3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine
CID 106613066
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
2-[1-(3-bromo-4-chlorophenyl)sulfonylazetidin-3-yl]propanoic acid
CID 106605652

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine (CID 134367190) is 1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine is O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC(Oc2ccccc2)C1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine?
The InChIKey is GUQDTCQTKKPEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3S/c16-14-7-6-13(8-15(14)17)22(19,20)18-9-12(10-18)21-11-4-2-1-3-5-11/h1-8,12H,9-10H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine?
1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine has a molecular weight of 402.70 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)sulfonyl-3-phenoxyazetidine is sourced from PubChem (CID 134367190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).