N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C15H21N3O2S — CID 53299028

IUPACN-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1cc(-c2cc(C)[nH]n2)ccc1C
InChIInChI=1S/C15H21N3O2S/c1-5-11(3)18-21(19,20)15-9-13(7-6-10(15)2)14-8-12(4)16-17-14/h6-9,11,18H,5H2,1-4H3,(H,16,17)
InChIKeyICCNWMONGMYJNI-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.77
Rot. Bonds5

About N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 53299028) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID53299028
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1cc(-c2cc(C)[nH]n2)ccc1C
InChIInChI=1S/C15H21N3O2S/c1-5-11(3)18-21(19,20)15-9-13(7-6-10(15)2)14-8-12(4)16-17-14/h6-9,11,18H,5H2,1-4H3,(H,16,17)
InChIKeyICCNWMONGMYJNI-UHFFFAOYSA-N
XLogP2.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 53299028) is N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is CCC(C)NS(=O)(=O)c1cc(-c2cc(C)[nH]n2)ccc1C.
What is the InChIKey of N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is ICCNWMONGMYJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-11(3)18-21(19,20)15-9-13(7-6-10(15)2)14-8-12(4)16-17-14/h6-9,11,18H,5H2,1-4H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 53299028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).