3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide

C11H15N5O2S — CID 106217125

IUPAC3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
SMILESCC(Nc1cc(N)cc(S(N)(=O)=O)c1)c1cn[nH]c1
InChIInChI=1S/C11H15N5O2S/c1-7(8-5-14-15-6-8)16-10-2-9(12)3-11(4-10)19(13,17)18/h2-7,16H,12H2,1H3,(H,14,15)(H2,13,17,18)
InChIKeyDYEMELRNKDDASL-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.81
Rot. Bonds4

About 3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide

3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide (PubChem CID 106217125) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
PubChem CID106217125
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
SMILESCC(Nc1cc(N)cc(S(N)(=O)=O)c1)c1cn[nH]c1
InChIInChI=1S/C11H15N5O2S/c1-7(8-5-14-15-6-8)16-10-2-9(12)3-11(4-10)19(13,17)18/h2-7,16H,12H2,1H3,(H,14,15)(H2,13,17,18)
InChIKeyDYEMELRNKDDASL-UHFFFAOYSA-N
XLogP0.81
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(propan-2-ylamino)benzenesulfonamide
CID 60987493
3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 55122010
3-fluoro-4-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
CID 106214076
3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 54887840
3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide
CID 60986935
4-(difluoromethylsulfonyl)-N-[1-(1H-pyrazol-4-yl)ethyl]aniline
CID 103894690
5-amino-2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208351
3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide
CID 61469316
3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine
CID 106215673
3-amino-4-bromo-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208303
4-N-[1-(1H-pyrazol-4-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106217097
3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
CID 61476143

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide (CID 106217125) is 3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide is CC(Nc1cc(N)cc(S(N)(=O)=O)c1)c1cn[nH]c1.
What is the InChIKey of 3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide?
The InChIKey is DYEMELRNKDDASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-7(8-5-14-15-6-8)16-10-2-9(12)3-11(4-10)19(13,17)18/h2-7,16H,12H2,1H3,(H,14,15)(H2,13,17,18).
What are the key properties of 3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide?
3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 106217125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).