N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide

C13H18N2O2S — CID 35327619

IUPACN,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C13H18N2O2S/c1-14(2)18(16,17)15-10-8-13(9-11-15)12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3
InChIKeyWBRMKFXDDBZQQK-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.58
Rot. Bonds3

About N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide

N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide (PubChem CID 35327619) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide
PubChem CID35327619
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C13H18N2O2S/c1-14(2)18(16,17)15-10-8-13(9-11-15)12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3
InChIKeyWBRMKFXDDBZQQK-UHFFFAOYSA-N
XLogP1.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide (CID 35327619) is N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide is CN(C)S(=O)(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
The InChIKey is WBRMKFXDDBZQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-14(2)18(16,17)15-10-8-13(9-11-15)12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide?
N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide has a molecular weight of 266.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-sulfonamide is sourced from PubChem (CID 35327619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).