N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide

C21H23N3O2S — CID 113026445

IUPACN-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(NCc3ccccc3)cn2)c(C)c1
InChIInChI=1S/C21H23N3O2S/c1-15-11-16(2)21(17(3)12-15)27(25,26)24-20-10-9-19(14-23-20)22-13-18-7-5-4-6-8-18/h4-12,14,22H,13H2,1-3H3,(H,23,24)
InChIKeyRIVDBYJETGHQRT-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.42
Rot. Bonds6

About N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide

N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 113026445) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID113026445
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(NCc3ccccc3)cn2)c(C)c1
InChIInChI=1S/C21H23N3O2S/c1-15-11-16(2)21(17(3)12-15)27(25,26)24-20-10-9-19(14-23-20)22-13-18-7-5-4-6-8-18/h4-12,14,22H,13H2,1-3H3,(H,23,24)
InChIKeyRIVDBYJETGHQRT-UHFFFAOYSA-N
XLogP4.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113027057
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
N-[6-(benzylamino)-3-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113011512
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
N-[5-(benzylamino)-2-pyridinyl]-5-ethylthiophene-2-sulfonamide
CID 113026460
2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
CID 113026646
2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016284
N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113011508
2-methoxy-5-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026561
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide (CID 113026445) is N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(NCc3ccccc3)cn2)c(C)c1.
What is the InChIKey of N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is RIVDBYJETGHQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-15-11-16(2)21(17(3)12-15)27(25,26)24-20-10-9-19(14-23-20)22-13-18-7-5-4-6-8-18/h4-12,14,22H,13H2,1-3H3,(H,23,24).
What are the key properties of N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide?
N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzylamino)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 113026445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).