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

C12H17ClN4O2S — CID 71757160

IUPACN-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCC(N)c2ccccc2)cn1
InChIInChI=1S/C12H16N4O2S.ClH/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;1H
InChIKeyDOIUJNHKZWVOHH-UHFFFAOYSA-N
MW316.81 g/mol
LogP0.82
Rot. Bonds5

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

N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 71757160) has the molecular formula C12H17ClN4O2S and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide;hydrochloride
PubChem CID71757160
Molecular FormulaC12H17ClN4O2S
Molecular Weight316.81 g/mol
Exact Mass316.08
IUPAC NameN-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide;hydrochloride
SMILESCl.Cn1cc(S(=O)(=O)NCC(N)c2ccccc2)cn1
InChIInChI=1S/C12H16N4O2S.ClH/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;1H
InChIKeyDOIUJNHKZWVOHH-UHFFFAOYSA-N
XLogP0.82
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 50.82
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;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide;hydrochloride (CID 71757160) is N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide;hydrochloride is Cl.Cn1cc(S(=O)(=O)NCC(N)c2ccccc2)cn1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is DOIUJNHKZWVOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S.ClH/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;1H.
What are the key properties of N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide;hydrochloride?
N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 316.81 g/mol, XLogP of 0.82, 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;hydrochloride is sourced from PubChem (CID 71757160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).