4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide

C12H14N4O2S — CID 106935292

IUPAC4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide
SMILESC=Cn1cc(CNc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C12H14N4O2S/c1-2-16-9-10(8-15-16)7-14-11-3-5-12(6-4-11)19(13,17)18/h2-6,8-9,14H,1,7H2,(H2,13,17,18)
InChIKeyAWRHCRSETVGVDS-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.24
Rot. Bonds5

About 4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide

4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide (PubChem CID 106935292) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide
PubChem CID106935292
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide
SMILESC=Cn1cc(CNc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C12H14N4O2S/c1-2-16-9-10(8-15-16)7-14-11-3-5-12(6-4-11)19(13,17)18/h2-6,8-9,14H,1,7H2,(H2,13,17,18)
InChIKeyAWRHCRSETVGVDS-UHFFFAOYSA-N
XLogP1.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline
CID 106935518
3-[(1-ethenylpyrazol-4-yl)methylamino]-2-methylbenzenesulfonamide
CID 106936560
ethyl 4-[(1-ethenylpyrazol-4-yl)methylamino]benzoate
CID 106935650
N-[(1-ethenylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 106936091
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 106936467
4-chloro-N-[(1-ethenylpyrazol-4-yl)methyl]-3-nitroaniline
CID 106936120
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methylsulfonylaniline
CID 106936174
2-bromo-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106935327
N-[(1-ethenylpyrazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 106936642
N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine
CID 106936812
N-[(1-ethenylpyrazol-4-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 106937158
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 28600347

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide (CID 106935292) is 4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide is C=Cn1cc(CNc2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of 4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide?
The InChIKey is AWRHCRSETVGVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-2-16-9-10(8-15-16)7-14-11-3-5-12(6-4-11)19(13,17)18/h2-6,8-9,14H,1,7H2,(H2,13,17,18).
What are the key properties of 4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide?
4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 106935292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).