5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid

C9H8ClN3O4S2 — CID 106313993

IUPAC5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C9H8ClN3O4S2/c1-13-8(5(10)4-11-13)19(16,17)12-7-3-2-6(18-7)9(14)15/h2-4,12H,1H3,(H,14,15)
InChIKeyPIGKVOHRVODWKN-UHFFFAOYSA-N
MW321.77 g/mol
LogP1.63
Rot. Bonds4

About 5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid

5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 106313993) has the molecular formula C9H8ClN3O4S2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID106313993
Molecular FormulaC9H8ClN3O4S2
Molecular Weight321.77 g/mol
Exact Mass320.96
IUPAC Name5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C9H8ClN3O4S2/c1-13-8(5(10)4-11-13)19(16,17)12-7-3-2-6(18-7)9(14)15/h2-4,12H,1H3,(H,14,15)
InChIKeyPIGKVOHRVODWKN-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-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 106314240
4-bromo-3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]benzoic acid
CID 106139112
(2S)-2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]propanoic acid
CID 106139067
4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106139079
4-chloro-N-(4-hydroxy-2-methylphenyl)-1-methylpyrazole-5-sulfonamide
CID 106147360
4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide
CID 106314873
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]butanoic acid
CID 106139021
N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313783
4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide
CID 106139096
4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide
CID 106314666
5-[(4-ethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43475054
4-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 106315690

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid (CID 106313993) is 5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid is Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is PIGKVOHRVODWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O4S2/c1-13-8(5(10)4-11-13)19(16,17)12-7-3-2-6(18-7)9(14)15/h2-4,12H,1H3,(H,14,15).
What are the key properties of 5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid?
5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-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 5-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 106313993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).