2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide

C9H13ClN2O2S2 — CID 43456068

IUPAC2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C9H13ClN2O2S2/c1-6-8(15-9(10)11-6)16(13,14)12-7-4-2-3-5-7/h7,12H,2-5H2,1H3
InChIKeyIXSDPVLKCUKVBC-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.33
Rot. Bonds3

About 2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43456068) has the molecular formula C9H13ClN2O2S2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43456068
Molecular FormulaC9H13ClN2O2S2
Molecular Weight280.80 g/mol
Exact Mass280.01
IUPAC Name2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C9H13ClN2O2S2/c1-6-8(15-9(10)11-6)16(13,14)12-7-4-2-3-5-7/h7,12H,2-5H2,1H3
InChIKeyIXSDPVLKCUKVBC-UHFFFAOYSA-N
XLogP2.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide (CID 43456068) is 2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is IXSDPVLKCUKVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S2/c1-6-8(15-9(10)11-6)16(13,14)12-7-4-2-3-5-7/h7,12H,2-5H2,1H3.
What are the key properties of 2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 280.80 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43456068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).