4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C15H19N3O2S — CID 106919156

IUPAC4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccncc2)ccc1CN
InChIInChI=1S/C15H19N3O2S/c1-12-9-15(4-3-14(12)10-16)21(19,20)18(2)11-13-5-7-17-8-6-13/h3-9H,10-11,16H2,1-2H3
InChIKeyZYHRSEBIHUPHER-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.67
Rot. Bonds5

About 4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 106919156) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID106919156
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccncc2)ccc1CN
InChIInChI=1S/C15H19N3O2S/c1-12-9-15(4-3-14(12)10-16)21(19,20)18(2)11-13-5-7-17-8-6-13/h3-9H,10-11,16H2,1-2H3
InChIKeyZYHRSEBIHUPHER-UHFFFAOYSA-N
XLogP1.67
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
CID 106919113
4-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbenzenesulfonamide
CID 106919444
3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 107090629
4-(aminomethyl)-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106919443
4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide
CID 106919095
3-amino-5-fluoro-N,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 116791517
4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106919163
4-fluoro-N,2,6-trimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 107326739
4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 106919384
4-(aminomethyl)-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 79179205
4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106919184
4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide
CID 106919334

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 106919156) is 4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2ccncc2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is ZYHRSEBIHUPHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-9-15(4-3-14(12)10-16)21(19,20)18(2)11-13-5-7-17-8-6-13/h3-9H,10-11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106919156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).