3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine

C10H10Br2ClNO2S — CID 106613066

IUPAC3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC(Br)C1
InChIInChI=1S/C10H10Br2ClNO2S/c11-7-3-4-14(6-7)17(15,16)8-1-2-10(13)9(12)5-8/h1-2,5,7H,3-4,6H2
InChIKeyGIOKGXMQCSWNSV-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.26
Rot. Bonds2

About 3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine

3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine (PubChem CID 106613066) has the molecular formula C10H10Br2ClNO2S and a molecular weight of 403.52 g/mol. Its IUPAC name is 3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine
PubChem CID106613066
Molecular FormulaC10H10Br2ClNO2S
Molecular Weight403.52 g/mol
Exact Mass400.85
IUPAC Name3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC(Br)C1
InChIInChI=1S/C10H10Br2ClNO2S/c11-7-3-4-14(6-7)17(15,16)8-1-2-10(13)9(12)5-8/h1-2,5,7H,3-4,6H2
InChIKeyGIOKGXMQCSWNSV-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-(3-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine
CID 106613268
1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708379
1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 106546810
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713062
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
1-(3-bromo-4-chlorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 106610949
(NE)-N-[1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 106606120
2-[4-(3-bromo-4-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 106605509
1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine
CID 106612253
2-[1-(3-bromo-4-chlorophenyl)sulfonylazetidin-3-yl]propanoic acid
CID 106605652
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine?
The IUPAC name of 3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine (CID 106613066) is 3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(Cl)c(Br)c1)N1CCC(Br)C1.
What is the InChIKey of 3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine?
The InChIKey is GIOKGXMQCSWNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2ClNO2S/c11-7-3-4-14(6-7)17(15,16)8-1-2-10(13)9(12)5-8/h1-2,5,7H,3-4,6H2.
What are the key properties of 3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine?
3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine has a molecular weight of 403.52 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 106613066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).