3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide

C12H14N4O5S — CID 167818865

IUPAC3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1S(=O)(=O)Nc1cc(C(N)=O)[nH]n1
InChIInChI=1S/C12H14N4O5S/c1-20-8-4-3-5-9(21-2)11(8)22(18,19)16-10-6-7(12(13)17)14-15-10/h3-6H,1-2H3,(H2,13,17)(H2,14,15,16)
InChIKeyXHTQXLIKFAKEBN-UHFFFAOYSA-N
MW326.33 g/mol
LogP0.33
Rot. Bonds6

About 3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide

3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (PubChem CID 167818865) has the molecular formula C12H14N4O5S and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
PubChem CID167818865
Molecular FormulaC12H14N4O5S
Molecular Weight326.33 g/mol
Exact Mass326.07
IUPAC Name3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1S(=O)(=O)Nc1cc(C(N)=O)[nH]n1
InChIInChI=1S/C12H14N4O5S/c1-20-8-4-3-5-9(21-2)11(8)22(18,19)16-10-6-7(12(13)17)14-15-10/h3-6H,1-2H3,(H2,13,17)(H2,14,15,16)
InChIKeyXHTQXLIKFAKEBN-UHFFFAOYSA-N
XLogP0.33
TPSA136.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 167944646
3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64526713
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 167774919
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide
CID 166435149
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-1H-pyrazole-5-carboxamide
CID 71847066
3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 167875091
methyl 3-[3-[(2,6-dimethoxyphenyl)sulfonylamino]-1,2-oxazol-5-yl]-4-methoxybenzoate
CID 153381081
3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527883
3-(3-methoxy-2-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117477464
N-(5-tert-butyl-1H-pyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 3256250
3-(3-phenylbutanoylamino)-1H-pyrazole-5-carboxamide
CID 146090733

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (CID 167818865) is 3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is COc1cccc(OC)c1S(=O)(=O)Nc1cc(C(N)=O)[nH]n1.
What is the InChIKey of 3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is XHTQXLIKFAKEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O5S/c1-20-8-4-3-5-9(21-2)11(8)22(18,19)16-10-6-7(12(13)17)14-15-10/h3-6H,1-2H3,(H2,13,17)(H2,14,15,16).
What are the key properties of 3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167818865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).