N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide

C13H17N3O2S — CID 3778663

IUPACN-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)n[nH]1
InChIInChI=1S/C13H17N3O2S/c1-9(2)11-4-6-12(7-5-11)19(17,18)16-13-8-10(3)14-15-13/h4-9H,1-3H3,(H2,14,15,16)
InChIKeyTVWLVPHJMWNOBD-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.64
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide

N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 3778663) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID3778663
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)n[nH]1
InChIInChI=1S/C13H17N3O2S/c1-9(2)11-4-6-12(7-5-11)19(17,18)16-13-8-10(3)14-15-13/h4-9H,1-3H3,(H2,14,15,16)
InChIKeyTVWLVPHJMWNOBD-UHFFFAOYSA-N
XLogP2.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide (CID 3778663) is N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is TVWLVPHJMWNOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(2)11-4-6-12(7-5-11)19(17,18)16-13-8-10(3)14-15-13/h4-9H,1-3H3,(H2,14,15,16).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide?
N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3778663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).