1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide

C12H16N4O2S — CID 82882627

IUPAC1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide
SMILESCn1ccc(CNS(=O)(=O)Cc2ccccc2N)n1
InChIInChI=1S/C12H16N4O2S/c1-16-7-6-11(15-16)8-14-19(17,18)9-10-4-2-3-5-12(10)13/h2-7,14H,8-9,13H2,1H3
InChIKeyNTYRWMOWADBXRS-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.62
Rot. Bonds5

About 1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide

1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide (PubChem CID 82882627) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide
PubChem CID82882627
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide
SMILESCn1ccc(CNS(=O)(=O)Cc2ccccc2N)n1
InChIInChI=1S/C12H16N4O2S/c1-16-7-6-11(15-16)8-14-19(17,18)9-10-4-2-3-5-12(10)13/h2-7,14H,8-9,13H2,1H3
InChIKeyNTYRWMOWADBXRS-UHFFFAOYSA-N
XLogP0.62
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872921
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide
CID 82881498
1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide
CID 81169954
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 62022430
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872869
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
2-(4-aminophenyl)sulfanyl-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872802
2-amino-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82882628

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide (CID 82882627) is 1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide is Cn1ccc(CNS(=O)(=O)Cc2ccccc2N)n1.
What is the InChIKey of 1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide?
The InChIKey is NTYRWMOWADBXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16-7-6-11(15-16)8-14-19(17,18)9-10-4-2-3-5-12(10)13/h2-7,14H,8-9,13H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide?
1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 82882627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).