N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

C20H20N2O2S — CID 110360936

IUPACN-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N(Cc2cccnc2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C20H20N2O2S/c1-16-10-11-19(13-17(16)2)22(15-18-7-6-12-21-14-18)25(23,24)20-8-4-3-5-9-20/h3-14H,15H2,1-2H3
InChIKeyRBSYVDXCQRYGTC-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.09
Rot. Bonds5

About N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 110360936) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID110360936
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N(Cc2cccnc2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C20H20N2O2S/c1-16-10-11-19(13-17(16)2)22(15-18-7-6-12-21-14-18)25(23,24)20-8-4-3-5-9-20/h3-14H,15H2,1-2H3
InChIKeyRBSYVDXCQRYGTC-UHFFFAOYSA-N
XLogP4.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360932
4-methoxy-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360449
4-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360477
3-acetyl-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360476
2-[(3,4-dimethylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetic acid
CID 146128171
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide
CID 66715371
4-bromo-N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 52634270
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110360457
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 46014799
N-(3,4-dimethylphenyl)benzenesulfonohydrazide
CID 156650628

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 110360936) is N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1ccc(N(Cc2cccnc2)S(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is RBSYVDXCQRYGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-16-10-11-19(13-17(16)2)22(15-18-7-6-12-21-14-18)25(23,24)20-8-4-3-5-9-20/h3-14H,15H2,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110360936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).