N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide

C12H15N3O2S — CID 17375771

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide
SMILESCn1cc(CNS(=O)(=O)Cc2ccccc2)cn1
InChIInChI=1S/C12H15N3O2S/c1-15-9-12(7-13-15)8-14-18(16,17)10-11-5-3-2-4-6-11/h2-7,9,14H,8,10H2,1H3
InChIKeyAOLZRUVGWQGRCE-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.04
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide

N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide (PubChem CID 17375771) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide
PubChem CID17375771
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide
SMILESCn1cc(CNS(=O)(=O)Cc2ccccc2)cn1
InChIInChI=1S/C12H15N3O2S/c1-15-9-12(7-13-15)8-14-18(16,17)10-11-5-3-2-4-6-11/h2-7,9,14H,8,10H2,1H3
InChIKeyAOLZRUVGWQGRCE-UHFFFAOYSA-N
XLogP1.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide (CID 17375771) is N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide is Cn1cc(CNS(=O)(=O)Cc2ccccc2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide?
The InChIKey is AOLZRUVGWQGRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15-9-12(7-13-15)8-14-18(16,17)10-11-5-3-2-4-6-11/h2-7,9,14H,8,10H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide?
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 17375771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).