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

C11H16ClN3O4S — CID 106314134

IUPAC2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C11H16ClN3O4S/c1-15-10(9(12)6-13-15)20(18,19)14-5-7-3-2-4-8(7)11(16)17/h6-8,14H,2-5H2,1H3,(H,16,17)
InChIKeyICVYNWXQQYZQSS-UHFFFAOYSA-N
MW321.79 g/mol
LogP0.85
Rot. Bonds5

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

2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 106314134) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
PubChem CID106314134
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC Name2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C11H16ClN3O4S/c1-15-10(9(12)6-13-15)20(18,19)14-5-7-3-2-4-8(7)11(16)17/h6-8,14H,2-5H2,1H3,(H,16,17)
InChIKeyICVYNWXQQYZQSS-UHFFFAOYSA-N
XLogP0.85
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 106314133
4-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150733
4-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-5-sulfonamide
CID 106314920
4-chloro-N-[(3-chlorocyclobutyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315973
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-5-sulfonamide
CID 114150458
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150690
methyl 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-iodopropanoate
CID 114172625
2-[[(1-ethylimidazol-4-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 79373105
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-cyclohexylacetic acid
CID 106139065
4-chloro-N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315562
4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
CID 106316125
4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide
CID 106315491

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid (CID 106314134) is 2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is Cn1ncc(Cl)c1S(=O)(=O)NCC1CCCC1C(=O)O.
What is the InChIKey of 2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ICVYNWXQQYZQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c1-15-10(9(12)6-13-15)20(18,19)14-5-7-3-2-4-8(7)11(16)17/h6-8,14H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid?
2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 321.79 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106314134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).