N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide

C21H24N2O3S — CID 17479375

IUPACN,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H24N2O3S/c1-16-9-10-19(27(25,26)22(2)3)15-20(16)21(24)23-13-11-18(12-14-23)17-7-5-4-6-8-17/h4-11,15H,12-14H2,1-3H3
InChIKeyWKMZOLFQYKQYLV-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.17
Rot. Bonds4

About N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide

N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide (PubChem CID 17479375) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
PubChem CID17479375
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H24N2O3S/c1-16-9-10-19(27(25,26)22(2)3)15-20(16)21(24)23-13-11-18(12-14-23)17-7-5-4-6-8-17/h4-11,15H,12-14H2,1-3H3
InChIKeyWKMZOLFQYKQYLV-UHFFFAOYSA-N
XLogP3.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide (CID 17479375) is N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
The InChIKey is WKMZOLFQYKQYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-16-9-10-19(27(25,26)22(2)3)15-20(16)21(24)23-13-11-18(12-14-23)17-7-5-4-6-8-17/h4-11,15H,12-14H2,1-3H3.
What are the key properties of N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 17479375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).