4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide

C13H14N4O3S — CID 69380823

IUPAC4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NC)cc1
InChIInChI=1S/C13H14N4O3S/c1-3-9-4-6-10(7-5-9)21(19,20)17-11-8-15-16-12(11)13(18)14-2/h3-8,17H,1H2,2H3,(H,14,18)(H,15,16)
InChIKeyJOXQYAIQWUDLDX-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.21
Rot. Bonds5

About 4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide

4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 69380823) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID69380823
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide
SMILESC=Cc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NC)cc1
InChIInChI=1S/C13H14N4O3S/c1-3-9-4-6-10(7-5-9)21(19,20)17-11-8-15-16-12(11)13(18)14-2/h3-8,17H,1H2,2H3,(H,14,18)(H,15,16)
InChIKeyJOXQYAIQWUDLDX-UHFFFAOYSA-N
XLogP1.21
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[(4-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 69379298
N-(furan-2-ylmethyl)-4-[(4-methoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 69381406
4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide
CID 69381656
N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 69379957
4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69379969
2-[(4-ethenylphenyl)sulfonylamino]-N-methylbutanamide
CID 166235716
N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide
CID 59733321
N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide
CID 102247944
N-propan-2-yl-4-(quinolin-8-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 69380952
4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19423365
(2S)-2-[(4-ethenylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 15548255
N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 69379442

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide (CID 69380823) is 4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide is C=Cc1ccc(S(=O)(=O)Nc2cn[nH]c2C(=O)NC)cc1.
What is the InChIKey of 4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is JOXQYAIQWUDLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-3-9-4-6-10(7-5-9)21(19,20)17-11-8-15-16-12(11)13(18)14-2/h3-8,17H,1H2,2H3,(H,14,18)(H,15,16).
What are the key properties of 4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide?
4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69380823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).