N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide

C19H23FN2O3S — CID 98853722

IUPACN-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c20-17-6-8-18(9-7-17)26(24,25)21-19-13-22(11-10-16(19)14-23)12-15-4-2-1-3-5-15/h1-9,16,19,21,23H,10-14H2/t16-,19-/m0/s1
InChIKeyZUZBGAASBDZABW-LPHOPBHVSA-N
MW378.47 g/mol
LogP1.99
Rot. Bonds6

About N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide

N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide (PubChem CID 98853722) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide
PubChem CID98853722
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c20-17-6-8-18(9-7-17)26(24,25)21-19-13-22(11-10-16(19)14-23)12-15-4-2-1-3-5-15/h1-9,16,19,21,23H,10-14H2/t16-,19-/m0/s1
InChIKeyZUZBGAASBDZABW-LPHOPBHVSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 97246583
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-2-carboxamide
CID 124725548
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 129426897
[1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 71633079
N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 98887099
1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea
CID 98775527
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide
CID 125138738
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-chlorofuran-2-carboxamide
CID 97248022

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide (CID 98853722) is N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide is O=S(=O)(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(F)cc1.
What is the InChIKey of N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide?
The InChIKey is ZUZBGAASBDZABW-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c20-17-6-8-18(9-7-17)26(24,25)21-19-13-22(11-10-16(19)14-23)12-15-4-2-1-3-5-15/h1-9,16,19,21,23H,10-14H2/t16-,19-/m0/s1.
What are the key properties of N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide?
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide has a molecular weight of 378.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 98853722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).