6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid

C10H16ClN3O4S — CID 106139003

IUPAC6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid
SMILESCn1ncc(Cl)c1S(=O)(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H16ClN3O4S/c1-14-10(8(11)7-12-14)19(17,18)13-6-4-2-3-5-9(15)16/h7,13H,2-6H2,1H3,(H,15,16)
InChIKeyIKRPDAMFNLGXHM-UHFFFAOYSA-N
MW309.78 g/mol
LogP1.00
Rot. Bonds8

About 6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid

6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid (PubChem CID 106139003) has the molecular formula C10H16ClN3O4S and a molecular weight of 309.78 g/mol. Its IUPAC name is 6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid
PubChem CID106139003
Molecular FormulaC10H16ClN3O4S
Molecular Weight309.78 g/mol
Exact Mass309.06
IUPAC Name6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid
SMILESCn1ncc(Cl)c1S(=O)(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H16ClN3O4S/c1-14-10(8(11)7-12-14)19(17,18)13-6-4-2-3-5-9(15)16/h7,13H,2-6H2,1H3,(H,15,16)
InChIKeyIKRPDAMFNLGXHM-UHFFFAOYSA-N
XLogP1.00
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid?
The IUPAC name of 6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid (CID 106139003) is 6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid?
The canonical SMILES for 6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid is Cn1ncc(Cl)c1S(=O)(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid?
The InChIKey is IKRPDAMFNLGXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O4S/c1-14-10(8(11)7-12-14)19(17,18)13-6-4-2-3-5-9(15)16/h7,13H,2-6H2,1H3,(H,15,16).
What are the key properties of 6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid?
6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid has a molecular weight of 309.78 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 106139003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).