N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide

C12H16N4O2S — CID 43605664

IUPACN-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(N)c2ccccc2)cn1
InChIInChI=1S/C12H16N4O2S/c1-16-9-11(7-14-16)19(17,18)15-8-12(13)10-5-3-2-4-6-10/h2-7,9,12,15H,8,13H2,1H3
InChIKeyCGDLFMANIUUMNX-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.40
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide

N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 43605664) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide
PubChem CID43605664
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(N)c2ccccc2)cn1
InChIInChI=1S/C12H16N4O2S/c1-16-9-11(7-14-16)19(17,18)15-8-12(13)10-5-3-2-4-6-10/h2-7,9,12,15H,8,13H2,1H3
InChIKeyCGDLFMANIUUMNX-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide (CID 43605664) is N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC(N)c2ccccc2)cn1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is CGDLFMANIUUMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16-9-11(7-14-16)19(17,18)15-8-12(13)10-5-3-2-4-6-10/h2-7,9,12,15H,8,13H2,1H3.
What are the key properties of N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide?
N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 43605664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).