N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide

C16H26N2O5S2 — CID 86819856

IUPACN-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC(O)CC2C)cc1
InChIInChI=1S/C16H26N2O5S2/c1-3-4-11-24(20,21)17-14-5-7-16(8-6-14)25(22,23)18-10-9-15(19)12-13(18)2/h5-8,13,15,17,19H,3-4,9-12H2,1-2H3
InChIKeyXWJUPOBQKBPMOT-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.76
Rot. Bonds7

About N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide

N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide (PubChem CID 86819856) has the molecular formula C16H26N2O5S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide
PubChem CID86819856
Molecular FormulaC16H26N2O5S2
Molecular Weight390.53 g/mol
Exact Mass390.13
IUPAC NameN-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC(O)CC2C)cc1
InChIInChI=1S/C16H26N2O5S2/c1-3-4-11-24(20,21)17-14-5-7-16(8-6-14)25(22,23)18-10-9-15(19)12-13(18)2/h5-8,13,15,17,19H,3-4,9-12H2,1-2H3
InChIKeyXWJUPOBQKBPMOT-UHFFFAOYSA-N
XLogP1.76
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]butane-1-sulfonamide
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N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide
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(2S,4S)-2-methyl-1-(4-propylphenyl)sulfonylpiperidin-4-amine
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N-heptyl-4-(2-methylpiperidin-1-yl)sulfonylaniline
CID 110826925
N-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]ethanesulfonamide
CID 27519574
N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119800501
(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 134859032
1-[4-(propylamino)phenyl]sulfonylpiperidin-4-ol
CID 62144901
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide
CID 119800485
[1-[4-(ethylamino)phenyl]sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102789177

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide (CID 86819856) is N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC(O)CC2C)cc1.
What is the InChIKey of N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide?
The InChIKey is XWJUPOBQKBPMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S2/c1-3-4-11-24(20,21)17-14-5-7-16(8-6-14)25(22,23)18-10-9-15(19)12-13(18)2/h5-8,13,15,17,19H,3-4,9-12H2,1-2H3.
What are the key properties of N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide?
N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide has a molecular weight of 390.53 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide is sourced from PubChem (CID 86819856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).