N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide

C18H25N3O3S — CID 134910120

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)n1nc(C)cc1C
InChIInChI=1S/C18H25N3O3S/c1-6-13(3)17(18(22)21-15(5)11-14(4)19-21)20-25(23,24)16-9-7-12(2)8-10-16/h7-11,13,17,20H,6H2,1-5H3
InChIKeyKYNDSWHFRMSATO-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.84
Rot. Bonds6

About N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide

N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 134910120) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
PubChem CID134910120
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)n1nc(C)cc1C
InChIInChI=1S/C18H25N3O3S/c1-6-13(3)17(18(22)21-15(5)11-14(4)19-21)20-25(23,24)16-9-7-12(2)8-10-16/h7-11,13,17,20H,6H2,1-5H3
InChIKeyKYNDSWHFRMSATO-UHFFFAOYSA-N
XLogP2.84
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide (CID 134910120) is N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide is CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)n1nc(C)cc1C.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is KYNDSWHFRMSATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-6-13(3)17(18(22)21-15(5)11-14(4)19-21)20-25(23,24)16-9-7-12(2)8-10-16/h7-11,13,17,20H,6H2,1-5H3.
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide?
N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-oxopentan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134910120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).