4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide

C15H21N3O3S — CID 110731910

IUPAC4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCCc2ccn[nH]2)cc1C
InChIInChI=1S/C15H21N3O3S/c1-4-21-14-9-12(3)15(10-11(14)2)22(19,20)17-8-6-13-5-7-16-18-13/h5,7,9-10,17H,4,6,8H2,1-3H3,(H,16,18)
InChIKeyUFIVKALSRXBKJN-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.95
Rot. Bonds7

About 4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide

4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110731910) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110731910
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCCc2ccn[nH]2)cc1C
InChIInChI=1S/C15H21N3O3S/c1-4-21-14-9-12(3)15(10-11(14)2)22(19,20)17-8-6-13-5-7-16-18-13/h5,7,9-10,17H,4,6,8H2,1-3H3,(H,16,18)
InChIKeyUFIVKALSRXBKJN-UHFFFAOYSA-N
XLogP1.95
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide (CID 110731910) is 4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)NCCc2ccn[nH]2)cc1C.
What is the InChIKey of 4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is UFIVKALSRXBKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-4-21-14-9-12(3)15(10-11(14)2)22(19,20)17-8-6-13-5-7-16-18-13/h5,7,9-10,17H,4,6,8H2,1-3H3,(H,16,18).
What are the key properties of 4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide?
4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 323.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,5-dimethyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110731910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).