5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

C11H13N3O4S2 — CID 29300535

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2c(C)n[nH]c2C)sc1C(=O)O
InChIInChI=1S/C11H13N3O4S2/c1-5-4-8(19-9(5)11(15)16)14-20(17,18)10-6(2)12-13-7(10)3/h4,14H,1-3H3,(H,12,13)(H,15,16)
InChIKeyJBWZCEXCOHPNGV-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.90
Rot. Bonds4

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid

5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 29300535) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID29300535
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2c(C)n[nH]c2C)sc1C(=O)O
InChIInChI=1S/C11H13N3O4S2/c1-5-4-8(19-9(5)11(15)16)14-20(17,18)10-6(2)12-13-7(10)3/h4,14H,1-3H3,(H,12,13)(H,15,16)
InChIKeyJBWZCEXCOHPNGV-UHFFFAOYSA-N
XLogP1.90
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43356625
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
5-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43172845
5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43343916
5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43123347
4-bromo-3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 104935776
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
5-(dipropylsulfamoylamino)-3-methylthiophene-2-carboxylic acid
CID 43361342
5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43361345
5-[(2,3-dichlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43172847
3,5-dimethyl-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 113462575
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid (CID 29300535) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2c(C)n[nH]c2C)sc1C(=O)O.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is JBWZCEXCOHPNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-5-4-8(19-9(5)11(15)16)14-20(17,18)10-6(2)12-13-7(10)3/h4,14H,1-3H3,(H,12,13)(H,15,16).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 29300535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).