5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide

C12H14N4O2S2 — CID 61126088

IUPAC5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
SMILESC=CCSc1ccccc1NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C12H14N4O2S2/c1-2-7-19-10-6-4-3-5-9(10)16-20(17,18)11-8-14-15-12(11)13/h2-6,8,16H,1,7H2,(H3,13,14,15)
InChIKeyALUMOWJWRONRTL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.07
Rot. Bonds6

About 5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61126088) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID61126088
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
SMILESC=CCSc1ccccc1NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C12H14N4O2S2/c1-2-7-19-10-6-4-3-5-9(10)16-20(17,18)11-8-14-15-12(11)13/h2-6,8,16H,1,7H2,(H3,13,14,15)
InChIKeyALUMOWJWRONRTL-UHFFFAOYSA-N
XLogP2.07
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922893
3,4-dimethyl-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
CID 8823884
4-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63103213
5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 106759379
5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
CID 8823907
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 61076416
5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 55160188
N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536162
N-(2-prop-2-enylsulfanylphenyl)formamide
CID 64992563
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
CID 107596356
5-amino-N-(2,6-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 65468674

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide (CID 61126088) is 5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide is C=CCSc1ccccc1NS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ALUMOWJWRONRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-2-7-19-10-6-4-3-5-9(10)16-20(17,18)11-8-14-15-12(11)13/h2-6,8,16H,1,7H2,(H3,13,14,15).
What are the key properties of 5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 310.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61126088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).