2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide

C13H16N4O2S — CID 114954565

IUPAC2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
SMILESCc1ccncc1CNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C13H16N4O2S/c1-9-4-5-16-7-10(9)8-17-11-2-3-13(12(14)6-11)20(15,18)19/h2-7,17H,8,14H2,1H3,(H2,15,18,19)
InChIKeyGHOPYPMDRUZSKQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.23
Rot. Bonds4

About 2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide

2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide (PubChem CID 114954565) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
PubChem CID114954565
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
SMILESCc1ccncc1CNc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C13H16N4O2S/c1-9-4-5-16-7-10(9)8-17-11-2-3-13(12(14)6-11)20(15,18)19/h2-7,17H,8,14H2,1H3,(H2,15,18,19)
InChIKeyGHOPYPMDRUZSKQ-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

4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114078614
2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 114956651
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
4-N-[(4-methyl-3-pyridinyl)methyl]-2-propoxybenzene-1,4-diamine
CID 114954604
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
CID 114698439
2-amino-3-methyl-5-[(4-methyl-3-pyridinyl)methylamino]benzoic acid
CID 114954612
2,6-difluoro-1-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,4-diamine
CID 114954480
N-[(4-methyl-3-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 114078615
4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954417
2-amino-5-bromo-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954439
2-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]benzenesulfonamide
CID 107231585

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide (CID 114954565) is 2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide is Cc1ccncc1CNc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
The InChIKey is GHOPYPMDRUZSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-4-5-16-7-10(9)8-17-11-2-3-13(12(14)6-11)20(15,18)19/h2-7,17H,8,14H2,1H3,(H2,15,18,19).
What are the key properties of 2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide?
2-amino-4-[(4-methyl-3-pyridinyl)methylamino]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 2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 114954565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).