5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide

C9H14ClN3O2S — CID 43415266

IUPAC5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCCC2)c1Cl
InChIInChI=1S/C9H14ClN3O2S/c1-13-6-11-9(8(13)10)16(14,15)12-7-4-2-3-5-7/h6-7,12H,2-5H2,1H3
InChIKeyUIUDVIIFHJCQHX-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.29
Rot. Bonds3

About 5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide

5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide (PubChem CID 43415266) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide
PubChem CID43415266
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC Name5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC2CCCC2)c1Cl
InChIInChI=1S/C9H14ClN3O2S/c1-13-6-11-9(8(13)10)16(14,15)12-7-4-2-3-5-7/h6-7,12H,2-5H2,1H3
InChIKeyUIUDVIIFHJCQHX-UHFFFAOYSA-N
XLogP1.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide (CID 43415266) is 5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide?
The InChIKey is UIUDVIIFHJCQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-13-6-11-9(8(13)10)16(14,15)12-7-4-2-3-5-7/h6-7,12H,2-5H2,1H3.
What are the key properties of 5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide?
5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 43415266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).