N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide

C12H15N3O3S — CID 118538456

IUPACN,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
SMILESCc1c(-c2ccc(S(=O)(=O)N(C)C)cc2)[nH][nH]c1=O
InChIInChI=1S/C12H15N3O3S/c1-8-11(13-14-12(8)16)9-4-6-10(7-5-9)19(17,18)15(2)3/h4-7H,1-3H3,(H2,13,14,16)
InChIKeyHLEKHBCSPJTUFP-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.93
Rot. Bonds3

About N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide

N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide (PubChem CID 118538456) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
PubChem CID118538456
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
SMILESCc1c(-c2ccc(S(=O)(=O)N(C)C)cc2)[nH][nH]c1=O
InChIInChI=1S/C12H15N3O3S/c1-8-11(13-14-12(8)16)9-4-6-10(7-5-9)19(17,18)15(2)3/h4-7H,1-3H3,(H2,13,14,16)
InChIKeyHLEKHBCSPJTUFP-UHFFFAOYSA-N
XLogP0.93
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 90391328
CID 90391328
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide
CID 53219192
4-(2-chloropropyl)-N,N-dimethylbenzenesulfonamide
CID 63205177
4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 118538509
[4-(dimethylsulfamoyl)phenyl]methanesulfonic acid
CID 175413171
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
4-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59667875
N,N-dimethyl-4-[2-[(4-methylphenyl)sulfamoyl]ethyl]benzenesulfonamide
CID 110299350
N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride
CID 86775481
N,N-dimethyl-4-[5-(4-methylphenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 138555662
N,N-dimethyl-4-[7-(4-methylphenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]benzenesulfonamide
CID 135949441

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide (CID 118538456) is N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide is Cc1c(-c2ccc(S(=O)(=O)N(C)C)cc2)[nH][nH]c1=O.
What is the InChIKey of N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
The InChIKey is HLEKHBCSPJTUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8-11(13-14-12(8)16)9-4-6-10(7-5-9)19(17,18)15(2)3/h4-7H,1-3H3,(H2,13,14,16).
What are the key properties of N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 118538456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).