5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide

C14H18N4O2S — CID 103286757

IUPAC5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N(C)Cc1ccccn1
InChIInChI=1S/C14H18N4O2S/c1-16-21(19,20)14-9-11(15)6-7-13(14)18(2)10-12-5-3-4-8-17-12/h3-9,16H,10,15H2,1-2H3
InChIKeyYXJZFDJJKQDVTD-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.21
Rot. Bonds5

About 5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide

5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide (PubChem CID 103286757) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide
PubChem CID103286757
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1N(C)Cc1ccccn1
InChIInChI=1S/C14H18N4O2S/c1-16-21(19,20)14-9-11(15)6-7-13(14)18(2)10-12-5-3-4-8-17-12/h3-9,16H,10,15H2,1-2H3
InChIKeyYXJZFDJJKQDVTD-UHFFFAOYSA-N
XLogP1.21
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenesulfonamide
CID 103286941
3-amino-N-methyl-4-[methyl(pyridin-2-ylmethyl)amino]benzamide
CID 82988706
5-amino-2-[2-cyanoethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286583
5-amino-N-methyl-2-[methyl(pentan-2-yl)amino]benzenesulfonamide
CID 103286765
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
8-N-methyl-8-N-(pyridin-2-ylmethyl)quinoline-5,8-diamine
CID 43564940
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
2-iodo-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 66094959
5-amino-2-[cycloheptyl(methyl)amino]-N-methylbenzenesulfonamide
CID 103286784
5-amino-N-methyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
CID 106894888
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 43565251

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide (CID 103286757) is 5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1N(C)Cc1ccccn1.
What is the InChIKey of 5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide?
The InChIKey is YXJZFDJJKQDVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-16-21(19,20)14-9-11(15)6-7-13(14)18(2)10-12-5-3-4-8-17-12/h3-9,16H,10,15H2,1-2H3.
What are the key properties of 5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide?
5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-[methyl(pyridin-2-ylmethyl)amino]benzenesulfonamide is sourced from PubChem (CID 103286757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).