N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide

C13H13N3O3S — CID 88891312

IUPACN-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC=O)n2)cc1
InChIInChI=1S/C13H13N3O3S/c1-14-20(18,19)11-7-5-10(6-8-11)12-3-2-4-13(16-12)15-9-17/h2-9,14H,1H3,(H,15,16,17)
InChIKeyBTIISPGVKWBHRK-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.23
Rot. Bonds5

About N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide

N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide (PubChem CID 88891312) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide
PubChem CID88891312
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC=O)n2)cc1
InChIInChI=1S/C13H13N3O3S/c1-14-20(18,19)11-7-5-10(6-8-11)12-3-2-4-13(16-12)15-9-17/h2-9,14H,1H3,(H,15,16,17)
InChIKeyBTIISPGVKWBHRK-UHFFFAOYSA-N
XLogP1.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]carbamate
CID 59166177
N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen
CID 159191136
N-methyl-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 134350753
4-formyl-N-methylbenzenesulfonamide
CID 14327177
4-(2-chlorophenyl)-N-methylbenzenesulfonamide
CID 174761183
ethane;methane;N-methylbenzenesulfonamide
CID 159487495
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
N-methyl-4-(2-propan-2-yl-1,3-thiazol-5-yl)benzenesulfonamide
CID 170687960
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
CID 139319386
N-(2,3-dimethylidenecyclohexyl)-4-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 90935534
1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide
CID 167965219

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide?
The IUPAC name of N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide (CID 88891312) is N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide.
What is the SMILES notation for N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide?
The canonical SMILES for N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide is CNS(=O)(=O)c1ccc(-c2cccc(NC=O)n2)cc1.
What is the InChIKey of N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide?
The InChIKey is BTIISPGVKWBHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-14-20(18,19)11-7-5-10(6-8-11)12-3-2-4-13(16-12)15-9-17/h2-9,14H,1H3,(H,15,16,17).
What are the key properties of N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide?
N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide has a molecular weight of 291.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]formamide is sourced from PubChem (CID 88891312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).