2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide

C11H14N4O2S — CID 43543696

IUPAC2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide
SMILESCCn1cc(Nc2ccccc2S(N)(=O)=O)cn1
InChIInChI=1S/C11H14N4O2S/c1-2-15-8-9(7-13-15)14-10-5-3-4-6-11(10)18(12,16)17/h3-8,14H,2H2,1H3,(H2,12,16,17)
InChIKeyKOHMNZNRENOWRW-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.29
Rot. Bonds4

About 2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide

2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide (PubChem CID 43543696) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide
PubChem CID43543696
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide
SMILESCCn1cc(Nc2ccccc2S(N)(=O)=O)cn1
InChIInChI=1S/C11H14N4O2S/c1-2-15-8-9(7-13-15)14-10-5-3-4-6-11(10)18(12,16)17/h3-8,14H,2H2,1H3,(H2,12,16,17)
InChIKeyKOHMNZNRENOWRW-UHFFFAOYSA-N
XLogP1.29
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide (CID 43543696) is 2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide is CCn1cc(Nc2ccccc2S(N)(=O)=O)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide?
The InChIKey is KOHMNZNRENOWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-15-8-9(7-13-15)14-10-5-3-4-6-11(10)18(12,16)17/h3-8,14H,2H2,1H3,(H2,12,16,17).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide?
2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 43543696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).