6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide

C13H16N4O2S — CID 115375852

IUPAC6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
SMILESCN(C)c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1
InChIInChI=1S/C13H16N4O2S/c1-17(2)11-5-3-4-10(8-11)16-20(18,19)12-6-7-13(14)15-9-12/h3-9,16H,1-2H3,(H2,14,15)
InChIKeyORSUXPFTNPZRSW-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.53
Rot. Bonds4

About 6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide

6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide (PubChem CID 115375852) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
PubChem CID115375852
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
SMILESCN(C)c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1
InChIInChI=1S/C13H16N4O2S/c1-17(2)11-5-3-4-10(8-11)16-20(18,19)12-6-7-13(14)15-9-12/h3-9,16H,1-2H3,(H2,14,15)
InChIKeyORSUXPFTNPZRSW-UHFFFAOYSA-N
XLogP1.53
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_H(6)', 'substructure': 'N/A'}

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Related Compounds

6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 114613901
6-amino-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 62144898
N-[3-(dimethylamino)phenyl]-4-(methylamino)benzenesulfonamide
CID 115378257
5-N-[3-(dimethylamino)phenyl]pyridine-2,5-diamine
CID 113297468
6-amino-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 62145055
6-amino-N-(3-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 62164219
6-amino-N-(4-chloro-3-fluorophenyl)pyridine-3-sulfonamide
CID 62151485
6-amino-N-(4-bromo-3-methoxyphenyl)pyridine-3-sulfonamide
CID 82857469
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 62149708
6-amino-N-(1,3-benzothiazol-6-yl)pyridine-3-sulfonamide
CID 107801222
6-amino-N-(2,3-difluorophenyl)pyridine-3-sulfonamide
CID 62147251
6-amino-N-(3-bromo-5-methoxyphenyl)pyridine-3-sulfonamide
CID 82858181

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide (CID 115375852) is 6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide is CN(C)c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1.
What is the InChIKey of 6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide?
The InChIKey is ORSUXPFTNPZRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-17(2)11-5-3-4-10(8-11)16-20(18,19)12-6-7-13(14)15-9-12/h3-9,16H,1-2H3,(H2,14,15).
What are the key properties of 6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide?
6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 115375852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).