N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide

C15H21N3O3S — CID 71850721

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)c1C
InChIInChI=1S/C15H21N3O3S/c1-10(2)9-21-13-5-7-14(8-6-13)22(19,20)18-15-11(3)12(4)16-17-15/h5-8,10H,9H2,1-4H3,(H2,16,17,18)
InChIKeyJRGSVMYJORMRMT-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.86
Rot. Bonds6

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide (PubChem CID 71850721) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
PubChem CID71850721
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)c1C
InChIInChI=1S/C15H21N3O3S/c1-10(2)9-21-13-5-7-14(8-6-13)22(19,20)18-15-11(3)12(4)16-17-15/h5-8,10H,9H2,1-4H3,(H2,16,17,18)
InChIKeyJRGSVMYJORMRMT-UHFFFAOYSA-N
XLogP2.86
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115750953
4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394117
4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944142
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-pyrazole-4-sulfonamide
CID 115750920
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 115750894
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 126828292
2-chloro-5-[(4,5-dimethyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617545
N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 25044636
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide (CID 71850721) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide is Cc1[nH]nc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is JRGSVMYJORMRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-10(2)9-21-13-5-7-14(8-6-13)22(19,20)18-15-11(3)12(4)16-17-15/h5-8,10H,9H2,1-4H3,(H2,16,17,18).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 71850721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).