2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide

C14H18N4O2S — CID 80641227

IUPAC2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)Cc2cccnc2)cc1N
InChIInChI=1S/C14H18N4O2S/c1-16-21(19,20)14-6-5-12(8-13(14)15)18(2)10-11-4-3-7-17-9-11/h3-9,16H,10,15H2,1-2H3
InChIKeyOUGUUSDPWOLCGQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.21
Rot. Bonds5

About 2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide

2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide (PubChem CID 80641227) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide
PubChem CID80641227
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)Cc2cccnc2)cc1N
InChIInChI=1S/C14H18N4O2S/c1-16-21(19,20)14-6-5-12(8-13(14)15)18(2)10-11-4-3-7-17-9-11/h3-9,16H,10,15H2,1-2H3
InChIKeyOUGUUSDPWOLCGQ-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 80645584
2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641958
2-amino-5-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 113323849
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563351
N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563488
6-[methyl(pyridin-3-ylmethyl)amino]-1H-indole-2,3-dione
CID 43586464
2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641118
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyridin-4-amine
CID 62282233
5-N-methyl-3-N-propyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533005
2-amino-N-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenesulfonamide
CID 80642598

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide (CID 80641227) is 2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(N(C)Cc2cccnc2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide?
The InChIKey is OUGUUSDPWOLCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-16-21(19,20)14-6-5-12(8-13(14)15)18(2)10-11-4-3-7-17-9-11/h3-9,16H,10,15H2,1-2H3.
What are the key properties of 2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide?
2-amino-N-methyl-4-[methyl(pyridin-3-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 2-amino-N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenesulfonamide is sourced from PubChem (CID 80641227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).