3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide

C13H18N4O2S — CID 104955799

IUPAC3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
SMILESCc1nn(C)cc1NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N4O2S/c1-9(15-13-8-17(3)16-10(13)2)11-5-4-6-12(7-11)20(14,18)19/h4-9,15H,1-3H3,(H2,14,18,19)
InChIKeyHLHYELSREASNGQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.55
Rot. Bonds4

About 3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide

3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 104955799) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID104955799
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
SMILESCc1nn(C)cc1NC(C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N4O2S/c1-9(15-13-8-17(3)16-10(13)2)11-5-4-6-12(7-11)20(14,18)19/h4-9,15H,1-3H3,(H2,14,18,19)
InChIKeyHLHYELSREASNGQ-UHFFFAOYSA-N
XLogP1.55
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide
CID 103936671
1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 55903082
3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 83167376
3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 97072580
3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide
CID 102803689
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
CID 102804235
N-[1-(4-bromophenyl)ethyl]-1,3-dimethylpyrazol-4-amine
CID 104952489
3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 43776942
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide (CID 104955799) is 3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide is Cc1nn(C)cc1NC(C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is HLHYELSREASNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9(15-13-8-17(3)16-10(13)2)11-5-4-6-12(7-11)20(14,18)19/h4-9,15H,1-3H3,(H2,14,18,19).
What are the key properties of 3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide?
3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 104955799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).