N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide

C20H24N2O3S — CID 99931342

IUPACN,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H24N2O3S/c1-21(2)20(23)17-10-6-12-19(14-17)26(24,25)22-13-7-11-18(15-22)16-8-4-3-5-9-16/h3-6,8-10,12,14,18H,7,11,13,15H2,1-2H3/t18-/m0/s1
InChIKeyGQNNVNQOTPAJEW-SFHVURJKSA-N
MW372.49 g/mol
LogP2.96
Rot. Bonds4

About N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide

N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 99931342) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide
PubChem CID99931342
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide
SMILESCN(C)C(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C20H24N2O3S/c1-21(2)20(23)17-10-6-12-19(14-17)26(24,25)22-13-7-11-18(15-22)16-8-4-3-5-9-16/h3-6,8-10,12,14,18H,7,11,13,15H2,1-2H3/t18-/m0/s1
InChIKeyGQNNVNQOTPAJEW-SFHVURJKSA-N
XLogP2.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608667
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-N,N-dimethylbenzamide;hydrochloride
CID 119989345
N,N-dimethyl-3-[3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]sulfonylbenzamide
CID 77089358
N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686303
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzamide
CID 120766196
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
1-[4-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608668
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride
CID 120766195
3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-N,N-dimethylbenzamide;hydrochloride
CID 120665509
(4-phenylpiperidin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 24660134
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
3-[(3R)-1-methylsulfonylpiperidin-3-yl]benzoic acid
CID 97208003

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide (CID 99931342) is N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide is CN(C)C(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3ccccc3)C2)c1.
What is the InChIKey of N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is GQNNVNQOTPAJEW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-21(2)20(23)17-10-6-12-19(14-17)26(24,25)22-13-7-11-18(15-22)16-8-4-3-5-9-16/h3-6,8-10,12,14,18H,7,11,13,15H2,1-2H3/t18-/m0/s1.
What are the key properties of N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide?
N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 99931342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).