2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide

C14H18N4O2S — CID 80641118

IUPAC2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2cccnc2)cc1N
InChIInChI=1S/C14H18N4O2S/c1-10(11-4-3-7-17-9-11)18-12-5-6-14(13(15)8-12)21(19,20)16-2/h3-10,16,18H,15H2,1-2H3
InChIKeyJGFKSGAOBRTPEX-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.75
Rot. Bonds5

About 2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide

2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide (PubChem CID 80641118) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
PubChem CID80641118
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2cccnc2)cc1N
InChIInChI=1S/C14H18N4O2S/c1-10(11-4-3-7-17-9-11)18-12-5-6-14(13(15)8-12)21(19,20)16-2/h3-10,16,18H,15H2,1-2H3
InChIKeyJGFKSGAOBRTPEX-UHFFFAOYSA-N
XLogP1.75
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
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-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide
CID 106387704
2-amino-N-methyl-4-(2-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641958
3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566
2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 79467494
3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 79885270
2-amino-N-methyl-4-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 80645869
2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide
CID 79466950
N-[2-fluoro-5-(1-pyridin-3-ylethylamino)phenyl]methanesulfonamide
CID 43731864
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862
3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
CID 62810175
3-amino-5-chloro-4-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 43523626
N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 43683661

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide (CID 80641118) is 2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NC(C)c2cccnc2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide?
The InChIKey is JGFKSGAOBRTPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10(11-4-3-7-17-9-11)18-12-5-6-14(13(15)8-12)21(19,20)16-2/h3-10,16,18H,15H2,1-2H3.
What are the key properties of 2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide?
2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 80641118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).