5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide

C13H16N4O2S — CID 79896289

IUPAC5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
SMILESCc1c(NCc2cccnc2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C13H16N4O2S/c1-9-12(17-8-10-3-2-4-16-7-10)5-11(14)6-13(9)20(15,18)19/h2-7,17H,8,14H2,1H3,(H2,15,18,19)
InChIKeyCVBUONCWWQPVCH-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.23
Rot. Bonds4

About 5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide

5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide (PubChem CID 79896289) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
PubChem CID79896289
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide
SMILESCc1c(NCc2cccnc2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C13H16N4O2S/c1-9-12(17-8-10-3-2-4-16-7-10)5-11(14)6-13(9)20(15,18)19/h2-7,17H,8,14H2,1H3,(H2,15,18,19)
InChIKeyCVBUONCWWQPVCH-UHFFFAOYSA-N
XLogP1.23
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.23
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

5-amino-3-[(3-fluorophenyl)methylamino]-2-methylbenzenesulfonamide
CID 79899493
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
5-amino-2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
CID 106369789
3-amino-4-fluoro-2,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 107325579
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 60984178
methyl 4-amino-3-(pyridin-3-ylmethylamino)benzoate
CID 82784968
4-methyl-3-(pyridin-3-ylmethylsulfonyl)aniline
CID 81191026
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62996272
4-bromo-1-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 43115534
5-fluoro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
CID 60876890

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide (CID 79896289) is 5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide is Cc1c(NCc2cccnc2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide?
The InChIKey is CVBUONCWWQPVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-12(17-8-10-3-2-4-16-7-10)5-11(14)6-13(9)20(15,18)19/h2-7,17H,8,14H2,1H3,(H2,15,18,19).
What are the key properties of 5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide?
5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-(pyridin-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 79896289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).