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

C12H17N5O2S — CID 103004471

IUPAC5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
SMILESCn1nccc1CCNc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C12H17N5O2S/c1-17-10(5-7-16-17)4-6-15-11-3-2-9(13)8-12(11)20(14,18)19/h2-3,5,7-8,15H,4,6,13H2,1H3,(H2,14,18,19)
InChIKeyQVDJNSXBCPZSMP-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.30
Rot. Bonds5

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

5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide (PubChem CID 103004471) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
PubChem CID103004471
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
SMILESCn1nccc1CCNc1ccc(N)cc1S(N)(=O)=O
InChIInChI=1S/C12H17N5O2S/c1-17-10(5-7-16-17)4-6-15-11-3-2-9(13)8-12(11)20(14,18)19/h2-3,5,7-8,15H,4,6,13H2,1H3,(H2,14,18,19)
InChIKeyQVDJNSXBCPZSMP-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

3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 103004382
5-amino-2-methyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 79896397
1-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 103004473
5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 65206650
4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
CID 103004508
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407
3-chloro-4-[2-(2-methylpyrazol-3-yl)ethylsulfonyl]aniline
CID 103020353
4-N-[2-(2-methylpyrazol-3-yl)ethyl]quinazoline-4,6-diamine
CID 103004388
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333697
2-bromo-5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001743

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide (CID 103004471) is 5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide is Cn1nccc1CCNc1ccc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
The InChIKey is QVDJNSXBCPZSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-17-10(5-7-16-17)4-6-15-11-3-2-9(13)8-12(11)20(14,18)19/h2-3,5,7-8,15H,4,6,13H2,1H3,(H2,14,18,19).
What are the key properties of 5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
5-amino-2-[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 5-amino-2-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 103004471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).