2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide

C9H15ClN2O4S3 — CID 79550454

IUPAC2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H15ClN2O4S3/c1-6-7(17-8(10)12-6)19(15,16)11-5-9(2,3)18(4,13)14/h11H,5H2,1-4H3
InChIKeyPFJFFQNMWRUUJI-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.21
Rot. Bonds5

About 2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 79550454) has the molecular formula C9H15ClN2O4S3 and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide
PubChem CID79550454
Molecular FormulaC9H15ClN2O4S3
Molecular Weight346.88 g/mol
Exact Mass345.99
IUPAC Name2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C9H15ClN2O4S3/c1-6-7(17-8(10)12-6)19(15,16)11-5-9(2,3)18(4,13)14/h11H,5H2,1-4H3
InChIKeyPFJFFQNMWRUUJI-UHFFFAOYSA-N
XLogP1.21
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide (CID 79550454) is 2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is PFJFFQNMWRUUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O4S3/c1-6-7(17-8(10)12-6)19(15,16)11-5-9(2,3)18(4,13)14/h11H,5H2,1-4H3.
What are the key properties of 2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 346.88 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 79550454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).