2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide

C19H22N2O4S — CID 70708699

IUPAC2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
SMILESO=C(N[C@@H]1CCNC[C@H]1O)c1ccccc1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H22N2O4S/c22-17-12-20-11-10-16(17)21-19(23)15-8-4-5-9-18(15)26(24,25)13-14-6-2-1-3-7-14/h1-9,16-17,20,22H,10-13H2,(H,21,23)/t16-,17-/m1/s1
InChIKeyGMZZSXVHRDLJCU-IAGOWNOFSA-N
MW374.46 g/mol
LogP1.11
Rot. Bonds5

About 2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide

2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide (PubChem CID 70708699) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
PubChem CID70708699
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
SMILESO=C(N[C@@H]1CCNC[C@H]1O)c1ccccc1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H22N2O4S/c22-17-12-20-11-10-16(17)21-19(23)15-8-4-5-9-18(15)26(24,25)13-14-6-2-1-3-7-14/h1-9,16-17,20,22H,10-13H2,(H,21,23)/t16-,17-/m1/s1
InChIKeyGMZZSXVHRDLJCU-IAGOWNOFSA-N
XLogP1.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
1-benzyl-3-[(3R,4R)-3-hydroxypiperidin-4-yl]urea;hydrochloride
CID 154906200
2-benzylsulfonylbenzoic acid
CID 561426
2-methylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450814
2-benzylsulfonyl-N-(2-phenylethyl)benzamide
CID 5297896
2-benzylsulfonyl-N-(4-fluorophenyl)benzamide
CID 6457202
N-piperidin-3-yl-2-piperidin-1-ylsulfonylbenzamide
CID 119425802
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride
CID 154895328
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride
CID 154897273
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide
CID 70719980
4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462777

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide?
The IUPAC name of 2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide (CID 70708699) is 2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide.
What is the SMILES notation for 2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide?
The canonical SMILES for 2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide is O=C(N[C@@H]1CCNC[C@H]1O)c1ccccc1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide?
The InChIKey is GMZZSXVHRDLJCU-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-17-12-20-11-10-16(17)21-19(23)15-8-4-5-9-18(15)26(24,25)13-14-6-2-1-3-7-14/h1-9,16-17,20,22H,10-13H2,(H,21,23)/t16-,17-/m1/s1.
What are the key properties of 2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide?
2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide has a molecular weight of 374.46 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide is sourced from PubChem (CID 70708699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).