N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide

C19H21N3O3S — CID 3788341

IUPACN-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1nn(C)c(Oc2ccccc2)c1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-15-18(13-14-20-26(23,24)17-11-7-4-8-12-17)19(22(2)21-15)25-16-9-5-3-6-10-16/h3-12,20H,13-14H2,1-2H3
InChIKeyXITCIVUKWSTNBX-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.04
Rot. Bonds7

About N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide

N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 3788341) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID3788341
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1nn(C)c(Oc2ccccc2)c1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21N3O3S/c1-15-18(13-14-20-26(23,24)17-11-7-4-8-12-17)19(22(2)21-15)25-16-9-5-3-6-10-16/h3-12,20H,13-14H2,1-2H3
InChIKeyXITCIVUKWSTNBX-UHFFFAOYSA-N
XLogP3.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide (CID 3788341) is N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide is Cc1nn(C)c(Oc2ccccc2)c1CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is XITCIVUKWSTNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-15-18(13-14-20-26(23,24)17-11-7-4-8-12-17)19(22(2)21-15)25-16-9-5-3-6-10-16/h3-12,20H,13-14H2,1-2H3.
What are the key properties of N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide?
N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3788341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).