[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H18BrClN2O4S — CID 47017134

IUPAC[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl)N1CCOCC1
InChIInChI=1S/C15H18BrClN2O4S/c16-11-3-4-14(12(17)10-11)24(21,22)19-5-1-2-13(19)15(20)18-6-8-23-9-7-18/h3-4,10,13H,1-2,5-9H2
InChIKeyHKEVKTCDVNPHLB-UHFFFAOYSA-N
MW437.74 g/mol
LogP2.11
Rot. Bonds3

About [1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 47017134) has the molecular formula C15H18BrClN2O4S and a molecular weight of 437.74 g/mol. Its IUPAC name is [1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID47017134
Molecular FormulaC15H18BrClN2O4S
Molecular Weight437.74 g/mol
Exact Mass435.99
IUPAC Name[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl)N1CCOCC1
InChIInChI=1S/C15H18BrClN2O4S/c16-11-3-4-14(12(17)10-11)24(21,22)19-5-1-2-13(19)15(20)18-6-8-23-9-7-18/h3-4,10,13H,1-2,5-9H2
InChIKeyHKEVKTCDVNPHLB-UHFFFAOYSA-N
XLogP2.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.74
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43084223
1-(4-bromo-2-chlorophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
CID 60700592
[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110286067
[1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307385
[(2S)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110286074
[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 55601195
[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307377
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
CID 42999354
(2S)-2-[(2R)-1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]cyclohexan-1-one
CID 97319363
2-(morpholine-4-carbonyl)pyrrolidine-1-sulfonamide
CID 112684499
(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol
CID 107225177
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 47305164

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 47017134) is [1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C(C1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl)N1CCOCC1.
What is the InChIKey of [1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is HKEVKTCDVNPHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O4S/c16-11-3-4-14(12(17)10-11)24(21,22)19-5-1-2-13(19)15(20)18-6-8-23-9-7-18/h3-4,10,13H,1-2,5-9H2.
What are the key properties of [1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 437.74 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 47017134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).