4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid

C9H8ClN3O4S2 — CID 146124933

IUPAC4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NS(=O)(=O)c2ccc(Cl)s2)c1C(=O)O
InChIInChI=1S/C9H8ClN3O4S2/c1-13-8(9(14)15)5(4-11-13)12-19(16,17)7-3-2-6(10)18-7/h2-4,12H,1H3,(H,14,15)
InChIKeyAAYYENZQUPRRQX-UHFFFAOYSA-N
MW321.77 g/mol
LogP1.63
Rot. Bonds4

About 4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid

4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 146124933) has the molecular formula C9H8ClN3O4S2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid
PubChem CID146124933
Molecular FormulaC9H8ClN3O4S2
Molecular Weight321.77 g/mol
Exact Mass320.96
IUPAC Name4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(NS(=O)(=O)c2ccc(Cl)s2)c1C(=O)O
InChIInChI=1S/C9H8ClN3O4S2/c1-13-8(9(14)15)5(4-11-13)12-19(16,17)7-3-2-6(10)18-7/h2-4,12H,1H3,(H,14,15)
InChIKeyAAYYENZQUPRRQX-UHFFFAOYSA-N
XLogP1.63
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443028
4-bromo-3-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 103866901
3-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 113341680
2-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 154741095
4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 60916262
5-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 5263595
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238
4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide
CID 154836612
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
CID 79524048
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3,5-dimethylbenzoic acid
CID 62778512
2-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 4739578
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid (CID 146124933) is 4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid is Cn1ncc(NS(=O)(=O)c2ccc(Cl)s2)c1C(=O)O.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is AAYYENZQUPRRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O4S2/c1-13-8(9(14)15)5(4-11-13)12-19(16,17)7-3-2-6(10)18-7/h2-4,12H,1H3,(H,14,15).
What are the key properties of 4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid?
4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 321.77 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 146124933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).