[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol

C10H13BrClNO3S2 — CID 80577698

IUPAC[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1cc(Cl)c(Br)s1)N1CCC(CO)CC1
InChIInChI=1S/C10H13BrClNO3S2/c11-10-8(12)5-9(17-10)18(15,16)13-3-1-7(6-14)2-4-13/h5,7,14H,1-4,6H2
InChIKeyUISPFXGBRLZVCK-UHFFFAOYSA-N
MW374.71 g/mol
LogP2.56
Rot. Bonds3

About [1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol

[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol (PubChem CID 80577698) has the molecular formula C10H13BrClNO3S2 and a molecular weight of 374.71 g/mol. Its IUPAC name is [1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol
PubChem CID80577698
Molecular FormulaC10H13BrClNO3S2
Molecular Weight374.71 g/mol
Exact Mass372.92
IUPAC Name[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol
SMILESO=S(=O)(c1cc(Cl)c(Br)s1)N1CCC(CO)CC1
InChIInChI=1S/C10H13BrClNO3S2/c11-10-8(12)5-9(17-10)18(15,16)13-3-1-7(6-14)2-4-13/h5,7,14H,1-4,6H2
InChIKeyUISPFXGBRLZVCK-UHFFFAOYSA-N
XLogP2.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetic acid
CID 80577643
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-tert-butylazepane
CID 80578871
N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide
CID 113402591
5-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 115917735
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 80578541
4-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-1,2,6-trimethylpiperazine
CID 113498483
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]methanol
CID 103100198
2-[4-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N,N-dimethylethanamine
CID 80578865
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3-isocyanatopiperidine
CID 80578054
[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 60957920
1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767025
1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid
CID 80578410

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol (CID 80577698) is [1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol is O=S(=O)(c1cc(Cl)c(Br)s1)N1CCC(CO)CC1.
What is the InChIKey of [1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is UISPFXGBRLZVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S2/c11-10-8(12)5-9(17-10)18(15,16)13-3-1-7(6-14)2-4-13/h5,7,14H,1-4,6H2.
What are the key properties of [1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol?
[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol has a molecular weight of 374.71 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 80577698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).