3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide

C14H20N2O4S — CID 63662505

IUPAC3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)NC2CCC(=O)NC2)c1
InChIInChI=1S/C14H20N2O4S/c1-2-13(17)10-4-3-5-12(8-10)21(19,20)16-11-6-7-14(18)15-9-11/h3-5,8,11,13,16-17H,2,6-7,9H2,1H3,(H,15,18)
InChIKeyKQKYJEBFUALBLO-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.69
Rot. Bonds5

About 3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide

3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide (PubChem CID 63662505) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
PubChem CID63662505
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)NC2CCC(=O)NC2)c1
InChIInChI=1S/C14H20N2O4S/c1-2-13(17)10-4-3-5-12(8-10)21(19,20)16-11-6-7-14(18)15-9-11/h3-5,8,11,13,16-17H,2,6-7,9H2,1H3,(H,15,18)
InChIKeyKQKYJEBFUALBLO-UHFFFAOYSA-N
XLogP0.69
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60874374
3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
CID 62491456
3-(1-hydroxypropyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79360006
3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
4-[1-(methylamino)ethyl]-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 63662849
N-(5-oxopyrrolidin-3-yl)-3-propanoylbenzenesulfonamide
CID 104696895
N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63662802
3-(2-bromo-1-hydroxyethyl)-N-cyclohexylbenzenesulfonamide
CID 67130398
2-(methylamino)-N-(6-oxopiperidin-3-yl)pyridine-4-sulfonamide
CID 63661990
5-(1-phenylpropylamino)piperidin-2-one
CID 63661190
4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62490790
4-(3-methylbutyl)-N-[(3R)-6-oxopiperidin-3-yl]benzenesulfonamide
CID 95628967

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide (CID 63662505) is 3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide is CCC(O)c1cccc(S(=O)(=O)NC2CCC(=O)NC2)c1.
What is the InChIKey of 3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
The InChIKey is KQKYJEBFUALBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-13(17)10-4-3-5-12(8-10)21(19,20)16-11-6-7-14(18)15-9-11/h3-5,8,11,13,16-17H,2,6-7,9H2,1H3,(H,15,18).
What are the key properties of 3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide?
3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)-N-(6-oxopiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 63662505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).