4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide

C13H17N5O2S — CID 5312144

IUPAC4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide
SMILESCNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
InChIInChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
InChIKeyPTFNKZLSFWJYFJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.55
Rot. Bonds5

About 4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide

4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide (PubChem CID 5312144) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide
PubChem CID5312144
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide
SMILESCNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1
InChIInChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18)
InChIKeyPTFNKZLSFWJYFJ-UHFFFAOYSA-N
XLogP1.55
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide (CID 5312144) is 4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide is CNc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(NC)n1.
What is the InChIKey of 4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide?
The InChIKey is PTFNKZLSFWJYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-15-12-7-10(8-13(16-2)17-12)18-21(19,20)11-5-3-9(14)4-6-11/h3-8H,14H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide?
4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2,6-bis(methylamino)-4-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 5312144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).