N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide

C20H20N2O3S — CID 58051455

IUPACN,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(-n2cc(-c3cccc(S(=O)(=O)N(C)C)c3)ccc2=O)c1
InChIInChI=1S/C20H20N2O3S/c1-15-6-4-8-18(12-15)22-14-17(10-11-20(22)23)16-7-5-9-19(13-16)26(24,25)21(2)3/h4-14H,1-3H3
InChIKeyIOKFEGRBTQVWRX-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.06
Rot. Bonds4

About N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide

N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide (PubChem CID 58051455) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide
PubChem CID58051455
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(-n2cc(-c3cccc(S(=O)(=O)N(C)C)c3)ccc2=O)c1
InChIInChI=1S/C20H20N2O3S/c1-15-6-4-8-18(12-15)22-14-17(10-11-20(22)23)16-7-5-9-19(13-16)26(24,25)21(2)3/h4-14H,1-3H3
InChIKeyIOKFEGRBTQVWRX-UHFFFAOYSA-N
XLogP3.06
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide (CID 58051455) is N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide is Cc1cccc(-n2cc(-c3cccc(S(=O)(=O)N(C)C)c3)ccc2=O)c1.
What is the InChIKey of N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide?
The InChIKey is IOKFEGRBTQVWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-15-6-4-8-18(12-15)22-14-17(10-11-20(22)23)16-7-5-9-19(13-16)26(24,25)21(2)3/h4-14H,1-3H3.
What are the key properties of N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide?
N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 58051455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).