N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide

C23H28N2O3S — CID 47014257

IUPACN,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC=C(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O3S/c1-4-25(5-2)29(27,28)22-12-10-21(11-13-22)23(26)24-16-14-20(15-17-24)19-8-6-18(3)7-9-19/h6-14H,4-5,15-17H2,1-3H3
InChIKeyLTIDNPPPCGDMBP-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.96
Rot. Bonds6

About N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide

N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide (PubChem CID 47014257) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
PubChem CID47014257
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC=C(c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O3S/c1-4-25(5-2)29(27,28)22-12-10-21(11-13-22)23(26)24-16-14-20(15-17-24)19-8-6-18(3)7-9-19/h6-14H,4-5,15-17H2,1-3H3
InChIKeyLTIDNPPPCGDMBP-UHFFFAOYSA-N
XLogP3.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
CID 86911291
ethyl 4-[4-(diethylsulfamoyl)benzoyl]piperazine-1-carboxylate
CID 9093923
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
[4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167129
4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 49064767
N,N-diethyl-4-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 30937931
N,N-diethyl-4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 30868024
[4-(dimethylamino)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167889
4-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]benzoic acid
CID 100553237
N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 55350429
N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 17479375
N,N-diethyl-4-[3-(2-methylpropylsulfonyl)azetidine-1-carbonyl]benzenesulfonamide
CID 90594284

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide (CID 47014257) is N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC=C(c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide?
The InChIKey is LTIDNPPPCGDMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-4-25(5-2)29(27,28)22-12-10-21(11-13-22)23(26)24-16-14-20(15-17-24)19-8-6-18(3)7-9-19/h6-14H,4-5,15-17H2,1-3H3.
What are the key properties of N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide?
N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide has a molecular weight of 412.56 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 47014257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).