3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide

C14H17N3O2S — CID 106934458

IUPAC3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccncc2)cc(N)c1C
InChIInChI=1S/C14H17N3O2S/c1-10-8-13(9-14(15)11(10)2)20(18,19)17(3)12-4-6-16-7-5-12/h4-9H,15H2,1-3H3
InChIKeySDYDPONZFRJVCW-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.11
Rot. Bonds3

About 3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide

3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106934458) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106934458
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccncc2)cc(N)c1C
InChIInChI=1S/C14H17N3O2S/c1-10-8-13(9-14(15)11(10)2)20(18,19)17(3)12-4-6-16-7-5-12/h4-9H,15H2,1-3H3
InChIKeySDYDPONZFRJVCW-UHFFFAOYSA-N
XLogP2.11
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934493
2-methyl-4-[methyl(pyridin-4-yl)sulfamoyl]benzenecarbothioamide
CID 106935867
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106937622
3-amino-5-fluoro-N,4-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 116791517
3-amino-4,5-dimethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587373
N-(4-aminophenyl)-N,3,4-trimethylbenzenesulfonamide
CID 28941396
3-amino-N-[3-(dimethylamino)propyl]-N,4,5-trimethylbenzenesulfonamide
CID 63695661
2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106936845
N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936304
3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934412
3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934484

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide (CID 106934458) is 3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)c2ccncc2)cc(N)c1C.
What is the InChIKey of 3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is SDYDPONZFRJVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-8-13(9-14(15)11(10)2)20(18,19)17(3)12-4-6-16-7-5-12/h4-9H,15H2,1-3H3.
What are the key properties of 3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide?
3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106934458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).