3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid

C10H11ClN4O4S — CID 106314240

IUPAC3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2c(Cl)cnn2C)c(C(=O)O)[nH]1
InChIInChI=1S/C10H11ClN4O4S/c1-5-3-7(8(13-5)10(16)17)14-20(18,19)9-6(11)4-12-15(9)2/h3-4,13-14H,1-2H3,(H,16,17)
InChIKeyKKZSHAYDIWJBDW-UHFFFAOYSA-N
MW318.74 g/mol
LogP1.21
Rot. Bonds4

About 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid

3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 106314240) has the molecular formula C10H11ClN4O4S and a molecular weight of 318.74 g/mol. Its IUPAC name is 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID106314240
Molecular FormulaC10H11ClN4O4S
Molecular Weight318.74 g/mol
Exact Mass318.02
IUPAC Name3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2c(Cl)cnn2C)c(C(=O)O)[nH]1
InChIInChI=1S/C10H11ClN4O4S/c1-5-3-7(8(13-5)10(16)17)14-20(18,19)9-6(11)4-12-15(9)2/h3-4,13-14H,1-2H3,(H,16,17)
InChIKeyKKZSHAYDIWJBDW-UHFFFAOYSA-N
XLogP1.21
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid (CID 106314240) is 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2c(Cl)cnn2C)c(C(=O)O)[nH]1.
What is the InChIKey of 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is KKZSHAYDIWJBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O4S/c1-5-3-7(8(13-5)10(16)17)14-20(18,19)9-6(11)4-12-15(9)2/h3-4,13-14H,1-2H3,(H,16,17).
What are the key properties of 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid?
3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 318.74 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 106314240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).