4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide

C20H25N3O3S — CID 86807763

IUPAC4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C2CCCN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H25N3O3S/c1-21(2)16-11-13-18(14-12-16)27(25,26)22(3)19-10-7-15-23(20(19)24)17-8-5-4-6-9-17/h4-6,8-9,11-14,19H,7,10,15H2,1-3H3
InChIKeyPDGGTCJWYWDHNW-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.57
Rot. Bonds5

About 4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide

4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide (PubChem CID 86807763) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide
PubChem CID86807763
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)N(C)C2CCCN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H25N3O3S/c1-21(2)16-11-13-18(14-12-16)27(25,26)22(3)19-10-7-15-23(20(19)24)17-8-5-4-6-9-17/h4-6,8-9,11-14,19H,7,10,15H2,1-3H3
InChIKeyPDGGTCJWYWDHNW-UHFFFAOYSA-N
XLogP2.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(piperidin-4-ylmethyl)amino]-1-phenylpiperidin-2-one
CID 119931878
1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide
CID 119792199
1-hydroxy-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 111389802
4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
CID 135182975
(3R)-3-[methyl-[(2R)-4,4,4-trifluoro-2-hydroxybutyl]amino]-1-phenylpiperidin-2-one
CID 124621246
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219
2-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119328400
1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea
CID 102557345
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119792209
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 100579283
4-(3-methoxy-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 90455170

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide (CID 86807763) is 4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide is CN(C)c1ccc(S(=O)(=O)N(C)C2CCCN(c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is PDGGTCJWYWDHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-21(2)16-11-13-18(14-12-16)27(25,26)22(3)19-10-7-15-23(20(19)24)17-8-5-4-6-9-17/h4-6,8-9,11-14,19H,7,10,15H2,1-3H3.
What are the key properties of 4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide?
4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 86807763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).