1-(4-bromophenyl)sulfonylpyrrolidin-3-ol

C10H12BrNO3S — CID 62918307

IUPAC1-(4-bromophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(O)C1
InChIInChI=1S/C10H12BrNO3S/c11-8-1-3-10(4-2-8)16(14,15)12-6-5-9(13)7-12/h1-4,9,13H,5-7H2
InChIKeyVVEPZEYUGIZNCS-UHFFFAOYSA-N
MW306.18 g/mol
LogP1.20
Rot. Bonds2

About 1-(4-bromophenyl)sulfonylpyrrolidin-3-ol

1-(4-bromophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 62918307) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonylpyrrolidin-3-ol
PubChem CID62918307
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Name1-(4-bromophenyl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(O)C1
InChIInChI=1S/C10H12BrNO3S/c11-8-1-3-10(4-2-8)16(14,15)12-6-5-9(13)7-12/h1-4,9,13H,5-7H2
InChIKeyVVEPZEYUGIZNCS-UHFFFAOYSA-N
XLogP1.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-1-(4-bromo-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 45480003
1-(1-((2-Bromophenyl)sulfonyl)piperidin-4-yl)pyrrolidin-3-ol
CID 71809740
1-(2-Fluorophenyl)sulfonylpyrrolidin-3-ol
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CID 71857995
(3R)-1-[2-(3-bromophenyl)sulfonylethyl]pyrrolidin-3-ol
CID 71861052
(3R)-1-(2-bromo-6-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 71967761
4-bromo-2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-methylbenzenesulfonamide
CID 97812750
3-(4-Bromophenyl)sulfonyl-1,3-oxazolidine
CID 110740042
1-(2-Bromo-4,5-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 58457199
(3R)-1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 112406641

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(4-bromophenyl)sulfonylpyrrolidin-3-ol (CID 62918307) is 1-(4-bromophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1ccc(Br)cc1)N1CCC(O)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is VVEPZEYUGIZNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c11-8-1-3-10(4-2-8)16(14,15)12-6-5-9(13)7-12/h1-4,9,13H,5-7H2.
What are the key properties of 1-(4-bromophenyl)sulfonylpyrrolidin-3-ol?
1-(4-bromophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 306.18 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62918307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).