N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide

C13H18N4O2S — CID 60864387

IUPACN-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide
SMILESCc1cc(N)n(-c2ccc(NS(=O)(=O)C(C)C)cc2)n1
InChIInChI=1S/C13H18N4O2S/c1-9(2)20(18,19)16-11-4-6-12(7-5-11)17-13(14)8-10(3)15-17/h4-9,16H,14H2,1-3H3
InChIKeyYTAZDHMIWSPQOA-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.91
Rot. Bonds4

About N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide

N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide (PubChem CID 60864387) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide
PubChem CID60864387
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide
SMILESCc1cc(N)n(-c2ccc(NS(=O)(=O)C(C)C)cc2)n1
InChIInChI=1S/C13H18N4O2S/c1-9(2)20(18,19)16-11-4-6-12(7-5-11)17-13(14)8-10(3)15-17/h4-9,16H,14H2,1-3H3
InChIKeyYTAZDHMIWSPQOA-UHFFFAOYSA-N
XLogP1.91
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide (CID 60864387) is N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide is Cc1cc(N)n(-c2ccc(NS(=O)(=O)C(C)C)cc2)n1.
What is the InChIKey of N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide?
The InChIKey is YTAZDHMIWSPQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9(2)20(18,19)16-11-4-6-12(7-5-11)17-13(14)8-10(3)15-17/h4-9,16H,14H2,1-3H3.
What are the key properties of N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide?
N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-3-methylpyrazol-1-yl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 60864387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).