2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine

C16H22N4O2S — CID 113032840

IUPAC2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine
SMILESCc1cc(C)c(Nc2ccc(NS(=O)(=O)N(C)C)nc2)c(C)c1
InChIInChI=1S/C16H22N4O2S/c1-11-8-12(2)16(13(3)9-11)18-14-6-7-15(17-10-14)19-23(21,22)20(4)5/h6-10,18H,1-5H3,(H,17,19)
InChIKeyCVXRRZYXJITFJV-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.97
Rot. Bonds5

About 2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine

2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine (PubChem CID 113032840) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine
PubChem CID113032840
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine
SMILESCc1cc(C)c(Nc2ccc(NS(=O)(=O)N(C)C)nc2)c(C)c1
InChIInChI=1S/C16H22N4O2S/c1-11-8-12(2)16(13(3)9-11)18-14-6-7-15(17-10-14)19-23(21,22)20(4)5/h6-10,18H,1-5H3,(H,17,19)
InChIKeyCVXRRZYXJITFJV-UHFFFAOYSA-N
XLogP2.97
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dimethylsulfamoylamino)-2-(4-methylanilino)pyridine
CID 113016392
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113033740
4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017941
5-(dimethylsulfamoylamino)-2-(methylamino)pyridine
CID 115268515
2-(dimethylsulfamoylamino)-5-[(3-methylphenyl)methylamino]pyridine
CID 113026646
4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017943
2-(dimethylsulfamoylamino)-5-(propylamino)pyridine
CID 113023494
methyl 4-[[6-(dimethylsulfamoylamino)-3-pyridinyl]amino]benzoate
CID 113035429
2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine
CID 113021518
5-[2-(dimethylamino)ethylamino]-2-(dimethylsulfamoylamino)pyridine
CID 113025561
2-(dimethylsulfamoylamino)-5-(2-methylpropylamino)pyridine
CID 113024164
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033745

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine?
The IUPAC name of 2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine (CID 113032840) is 2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine?
The canonical SMILES for 2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine is Cc1cc(C)c(Nc2ccc(NS(=O)(=O)N(C)C)nc2)c(C)c1.
What is the InChIKey of 2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine?
The InChIKey is CVXRRZYXJITFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11-8-12(2)16(13(3)9-11)18-14-6-7-15(17-10-14)19-23(21,22)20(4)5/h6-10,18H,1-5H3,(H,17,19).
What are the key properties of 2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine?
2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine has a molecular weight of 334.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine is sourced from PubChem (CID 113032840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).