N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide

C15H19N3O2S — CID 104821897

IUPACN,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccc(C)nc2)ccc1C
InChIInChI=1S/C15H19N3O2S/c1-11-4-7-14(8-15(11)21(19,20)16-3)18-10-13-6-5-12(2)17-9-13/h4-9,16,18H,10H2,1-3H3
InChIKeyBSFAKYHOQJNHHA-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.22
Rot. Bonds5

About N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide

N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide (PubChem CID 104821897) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
PubChem CID104821897
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(NCc2ccc(C)nc2)ccc1C
InChIInChI=1S/C15H19N3O2S/c1-11-4-7-14(8-15(11)21(19,20)16-3)18-10-13-6-5-12(2)17-9-13/h4-9,16,18H,10H2,1-3H3
InChIKeyBSFAKYHOQJNHHA-UHFFFAOYSA-N
XLogP2.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62994869
N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 43717517
N,2-dimethyl-5-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400218
5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717493
N,2-dimethyl-5-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747342
N,2-dimethyl-5-[(2-methylphenyl)methylamino]benzenesulfonamide
CID 43717495
4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine
CID 106750778
5-[(2-hydroxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717522
N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 43717561
N-[(6-methyl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 104821970
5-[(2-aminophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 66387661
5-[2-(tert-butylamino)ethylamino]-N,2-dimethylbenzenesulfonamide
CID 107445081

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide (CID 104821897) is N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1cc(NCc2ccc(C)nc2)ccc1C.
What is the InChIKey of N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
The InChIKey is BSFAKYHOQJNHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-4-7-14(8-15(11)21(19,20)16-3)18-10-13-6-5-12(2)17-9-13/h4-9,16,18H,10H2,1-3H3.
What are the key properties of N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 104821897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).