N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide

C15H22N4O2S — CID 75517284

IUPACN-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1ccc(NS(C)(=O)=O)cc1)c1cnn(C(C)C)c1
InChIInChI=1S/C15H22N4O2S/c1-11(2)19-10-13(9-16-19)12(3)17-14-5-7-15(8-6-14)18-22(4,20)21/h5-12,17-18H,1-4H3
InChIKeyAHRDXAJWZBAYHS-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.01
Rot. Bonds6

About N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide

N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide (PubChem CID 75517284) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide
PubChem CID75517284
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1ccc(NS(C)(=O)=O)cc1)c1cnn(C(C)C)c1
InChIInChI=1S/C15H22N4O2S/c1-11(2)19-10-13(9-16-19)12(3)17-14-5-7-15(8-6-14)18-22(4,20)21/h5-12,17-18H,1-4H3
InChIKeyAHRDXAJWZBAYHS-UHFFFAOYSA-N
XLogP3.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide (CID 75517284) is N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide is CC(Nc1ccc(NS(C)(=O)=O)cc1)c1cnn(C(C)C)c1.
What is the InChIKey of N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide?
The InChIKey is AHRDXAJWZBAYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11(2)19-10-13(9-16-19)12(3)17-14-5-7-15(8-6-14)18-22(4,20)21/h5-12,17-18H,1-4H3.
What are the key properties of N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide?
N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 75517284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).