3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide

C12H17N5O2S — CID 103004382

IUPAC3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
SMILESCn1nccc1CCNc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H17N5O2S/c1-17-11(3-5-16-17)2-4-15-10-6-9(13)7-12(8-10)20(14,18)19/h3,5-8,15H,2,4,13H2,1H3,(H2,14,18,19)
InChIKeyXXWRQJYJVFHUHN-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.30
Rot. Bonds5

About 3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide

3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide (PubChem CID 103004382) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
PubChem CID103004382
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
SMILESCn1nccc1CCNc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H17N5O2S/c1-17-11(3-5-16-17)2-4-15-10-6-9(13)7-12(8-10)20(14,18)19/h3,5-8,15H,2,4,13H2,1H3,(H2,14,18,19)
InChIKeyXXWRQJYJVFHUHN-UHFFFAOYSA-N
XLogP0.30
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 103004471
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]benzenesulfonamide
CID 106037433
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407
3-chloro-5-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107365450
5-amino-2-methyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 79896397
2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43663260
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 104695947
2-(3-amino-5-sulfamoylanilino)ethylurea
CID 83115831
2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 104925404

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide (CID 103004382) is 3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide is Cn1nccc1CCNc1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
The InChIKey is XXWRQJYJVFHUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-17-11(3-5-16-17)2-4-15-10-6-9(13)7-12(8-10)20(14,18)19/h3,5-8,15H,2,4,13H2,1H3,(H2,14,18,19).
What are the key properties of 3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 103004382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).