3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide

C20H21N3O2S — CID 102189251

IUPAC3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)N(Cc2ccccn2)Cc2ccccn2)c1
InChIInChI=1S/C20H21N3O2S/c1-16-11-17(2)13-20(12-16)26(24,25)23(14-18-7-3-5-9-21-18)15-19-8-4-6-10-22-19/h3-13H,14-15H2,1-2H3
InChIKeyBCOGEGIOUIKJJW-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.48
Rot. Bonds6

About 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide

3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 102189251) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID102189251
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)N(Cc2ccccn2)Cc2ccccn2)c1
InChIInChI=1S/C20H21N3O2S/c1-16-11-17(2)13-20(12-16)26(24,25)23(14-18-7-3-5-9-21-18)15-19-8-4-6-10-22-19/h3-13H,14-15H2,1-2H3
InChIKeyBCOGEGIOUIKJJW-UHFFFAOYSA-N
XLogP3.48
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 102189250
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151497
2,2-dimethyl-N,N-bis(pyridin-2-ylmethyl)-3,4-dihydrochromene-6-sulfonamide
CID 2738472
N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
CID 168810754
2-[(3-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetic acid
CID 146128222
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
ethyl 2-[(3,4-difluorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate
CID 3855455
3-amino-4-fluoro-N,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 115421252
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084748
4-tert-butyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084565
5-(dimethylamino)-N,N-bis(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
CID 102189253
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724645

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide (CID 102189251) is 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)N(Cc2ccccn2)Cc2ccccn2)c1.
What is the InChIKey of 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is BCOGEGIOUIKJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-16-11-17(2)13-20(12-16)26(24,25)23(14-18-7-3-5-9-21-18)15-19-8-4-6-10-22-19/h3-13H,14-15H2,1-2H3.
What are the key properties of 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 102189251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).