6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide

C17H18N4O3S — CID 17421706

IUPAC6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(c3nc4ccccc4o3)CC2)nc1
InChIInChI=1S/C17H18N4O3S/c18-25(22,23)13-5-6-16(19-11-13)21-9-7-12(8-10-21)17-20-14-3-1-2-4-15(14)24-17/h1-6,11-12H,7-10H2,(H2,18,22,23)
InChIKeyMQNYOQAEZBCLPF-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.25
Rot. Bonds3

About 6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide

6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide (PubChem CID 17421706) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide
PubChem CID17421706
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(c3nc4ccccc4o3)CC2)nc1
InChIInChI=1S/C17H18N4O3S/c18-25(22,23)13-5-6-16(19-11-13)21-9-7-12(8-10-21)17-20-14-3-1-2-4-15(14)24-17/h1-6,11-12H,7-10H2,(H2,18,22,23)
InChIKeyMQNYOQAEZBCLPF-UHFFFAOYSA-N
XLogP2.25
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylaniline
CID 20983588
6-pyrrolidin-1-ylpyridine-3-sulfonamide
CID 9115059
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole
CID 21008046
2-[1-(2-nitrophenyl)piperidin-4-yl]-1,3-benzoxazole
CID 33089272
2-[6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyethanol
CID 91650166
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 51241050
4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126433878
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 131907444
N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 119042108
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 16577327
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 43012683
ethyl 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoacetate
CID 21007968

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide (CID 17421706) is 6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(N2CCC(c3nc4ccccc4o3)CC2)nc1.
What is the InChIKey of 6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is MQNYOQAEZBCLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c18-25(22,23)13-5-6-16(19-11-13)21-9-7-12(8-10-21)17-20-14-3-1-2-4-15(14)24-17/h1-6,11-12H,7-10H2,(H2,18,22,23).
What are the key properties of 6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide?
6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 17421706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).