N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide

C14H16N4O2S — CID 25185414

IUPACN'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide
SMILESC/N=C(/NNS(=O)(=O)c1ccc(C)cc1)c1ccccn1
InChIInChI=1S/C14H16N4O2S/c1-11-6-8-12(9-7-11)21(19,20)18-17-14(15-2)13-5-3-4-10-16-13/h3-10,18H,1-2H3,(H,15,17)
InChIKeyPGHKDNXMIRFYST-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.25
Rot. Bonds4

About N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide

N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide (PubChem CID 25185414) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide
PubChem CID25185414
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide
SMILESC/N=C(/NNS(=O)(=O)c1ccc(C)cc1)c1ccccn1
InChIInChI=1S/C14H16N4O2S/c1-11-6-8-12(9-7-11)21(19,20)18-17-14(15-2)13-5-3-4-10-16-13/h3-10,18H,1-2H3,(H,15,17)
InChIKeyPGHKDNXMIRFYST-UHFFFAOYSA-N
XLogP1.25
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 26951444
N'-(4-nitrophenyl)sulfonylpyridine-2-carbohydrazide
CID 17368436
N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 11835108
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 71260417
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide?
The IUPAC name of N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide (CID 25185414) is N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide is C/N=C(/NNS(=O)(=O)c1ccc(C)cc1)c1ccccn1.
What is the InChIKey of N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide?
The InChIKey is PGHKDNXMIRFYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-11-6-8-12(9-7-11)21(19,20)18-17-14(15-2)13-5-3-4-10-16-13/h3-10,18H,1-2H3,(H,15,17).
What are the key properties of N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide?
N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide has a molecular weight of 304.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(4-methylphenyl)sulfonylamino]pyridine-2-carboximidamide is sourced from PubChem (CID 25185414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).