[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol

C10H13BrN2O4S — CID 81218928

IUPAC[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol
SMILESO=S(=O)(c1cncc(Br)c1)N1CCOC(CO)C1
InChIInChI=1S/C10H13BrN2O4S/c11-8-3-10(5-12-4-8)18(15,16)13-1-2-17-9(6-13)7-14/h3-5,9,14H,1-2,6-7H2
InChIKeyBBBNVRSERJHRHV-UHFFFAOYSA-N
MW337.20 g/mol
LogP0.23
Rot. Bonds3

About [4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol

[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol (PubChem CID 81218928) has the molecular formula C10H13BrN2O4S and a molecular weight of 337.20 g/mol. Its IUPAC name is [4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol
PubChem CID81218928
Molecular FormulaC10H13BrN2O4S
Molecular Weight337.20 g/mol
Exact Mass335.98
IUPAC Name[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol
SMILESO=S(=O)(c1cncc(Br)c1)N1CCOC(CO)C1
InChIInChI=1S/C10H13BrN2O4S/c11-8-3-10(5-12-4-8)18(15,16)13-1-2-17-9(6-13)7-14/h3-5,9,14H,1-2,6-7H2
InChIKeyBBBNVRSERJHRHV-UHFFFAOYSA-N
XLogP0.23
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol
CID 81219809
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844
3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
CID 63175235
3-bromo-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridine
CID 64598277
[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625968
3-[(5-bromo-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370500
2-[1-[(5-bromo-3-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 64617835
[(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 66260969
[4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol
CID 115681315
1-[(5-bromo-3-pyridinyl)sulfonyl]-3-ethylpiperidin-4-amine
CID 81456896
[4-(5-amino-2-chloro-4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81206350
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208390

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol (CID 81218928) is [4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol is O=S(=O)(c1cncc(Br)c1)N1CCOC(CO)C1.
What is the InChIKey of [4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol?
The InChIKey is BBBNVRSERJHRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4S/c11-8-3-10(5-12-4-8)18(15,16)13-1-2-17-9(6-13)7-14/h3-5,9,14H,1-2,6-7H2.
What are the key properties of [4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol?
[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol has a molecular weight of 337.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol is sourced from PubChem (CID 81218928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).