N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide

C14H19N3O2S — CID 1078658

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide
SMILESCCn1nc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C14H19N3O2S/c1-5-17-12(4)14(11(3)15-17)16-20(18,19)13-8-6-10(2)7-9-13/h6-9,16H,5H2,1-4H3
InChIKeyVPELHWNLVPEEHT-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.63
Rot. Bonds4

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide (PubChem CID 1078658) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide
PubChem CID1078658
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide
SMILESCCn1nc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C14H19N3O2S/c1-5-17-12(4)14(11(3)15-17)16-20(18,19)13-8-6-10(2)7-9-13/h6-9,16H,5H2,1-4H3
InChIKeyVPELHWNLVPEEHT-UHFFFAOYSA-N
XLogP2.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide (CID 1078658) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide is CCn1nc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is VPELHWNLVPEEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-5-17-12(4)14(11(3)15-17)16-20(18,19)13-8-6-10(2)7-9-13/h6-9,16H,5H2,1-4H3.
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 1078658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).