N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide

C21H24N2O4S2 — CID 177490567

IUPACN,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide
SMILESC=C1CN(S(=O)(=O)c2ccc(C)cc2)CC=C1N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O4S2/c1-16-5-9-19(10-6-16)28(24,25)22(4)21-13-14-23(15-18(21)3)29(26,27)20-11-7-17(2)8-12-20/h5-13H,3,14-15H2,1-2,4H3
InChIKeyRBJLWOJDSIDOAM-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.07
Rot. Bonds5

About N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide

N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide (PubChem CID 177490567) has the molecular formula C21H24N2O4S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide
PubChem CID177490567
Molecular FormulaC21H24N2O4S2
Molecular Weight432.57 g/mol
Exact Mass432.12
IUPAC NameN,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide
SMILESC=C1CN(S(=O)(=O)c2ccc(C)cc2)CC=C1N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O4S2/c1-16-5-9-19(10-6-16)28(24,25)22(4)21-13-14-23(15-18(21)3)29(26,27)20-11-7-17(2)8-12-20/h5-13H,3,14-15H2,1-2,4H3
InChIKeyRBJLWOJDSIDOAM-UHFFFAOYSA-N
XLogP3.07
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 14174967
3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.2.0]octa-1(8),5-diene
CID 134866059
4-tert-butyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 153307532
3-(3-methylbut-2-en-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 101172518
1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]-2,5-dihydropyrrole
CID 153475099
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 86224949
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
3-[(E)-2-(4-methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 135054306
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247
(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 101406646
3-methyl-4-[4-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 102578903
5-methyl-1-(4-methylphenyl)sulfonyl-2,7-dihydroazepin-4-ol
CID 177402048

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide (CID 177490567) is N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide is C=C1CN(S(=O)(=O)c2ccc(C)cc2)CC=C1N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide?
The InChIKey is RBJLWOJDSIDOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S2/c1-16-5-9-19(10-6-16)28(24,25)22(4)21-13-14-23(15-18(21)3)29(26,27)20-11-7-17(2)8-12-20/h5-13H,3,14-15H2,1-2,4H3.
What are the key properties of N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide?
N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide has a molecular weight of 432.57 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[3-methylidene-1-(4-methylphenyl)sulfonyl-2,6-dihydropyridin-4-yl]benzenesulfonamide is sourced from PubChem (CID 177490567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).