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

C10H12ClN5O4S — CID 106139090

IUPAC2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NS(=O)(=O)c2c(Cl)cnn2C)C(=O)O)cn1
InChIInChI=1S/C10H12ClN5O4S/c1-15-5-6(3-12-15)8(10(17)18)14-21(19,20)9-7(11)4-13-16(9)2/h3-5,8,14H,1-2H3,(H,17,18)
InChIKeyUUFNJHQOZUANPR-UHFFFAOYSA-N
MW333.76 g/mol
LogP-0.09
Rot. Bonds5

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

2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 106139090) has the molecular formula C10H12ClN5O4S and a molecular weight of 333.76 g/mol. Its IUPAC name is 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID106139090
Molecular FormulaC10H12ClN5O4S
Molecular Weight333.76 g/mol
Exact Mass333.03
IUPAC Name2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCn1cc(C(NS(=O)(=O)c2c(Cl)cnn2C)C(=O)O)cn1
InChIInChI=1S/C10H12ClN5O4S/c1-15-5-6(3-12-15)8(10(17)18)14-21(19,20)9-7(11)4-13-16(9)2/h3-5,8,14H,1-2H3,(H,17,18)
InChIKeyUUFNJHQOZUANPR-UHFFFAOYSA-N
XLogP-0.09
TPSA119.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.76
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 106139090) is 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid is Cn1cc(C(NS(=O)(=O)c2c(Cl)cnn2C)C(=O)O)cn1.
What is the InChIKey of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is UUFNJHQOZUANPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O4S/c1-15-5-6(3-12-15)8(10(17)18)14-21(19,20)9-7(11)4-13-16(9)2/h3-5,8,14H,1-2H3,(H,17,18).
What are the key properties of 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 333.76 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 106139090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).