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

C13H15ClN2O2S2 — CID 42956033

IUPAC2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC(C)c1ccccc1
InChIInChI=1S/C13H15ClN2O2S2/c1-9(11-6-4-3-5-7-11)8-15-20(17,18)12-10(2)16-13(14)19-12/h3-7,9,15H,8H2,1-2H3
InChIKeyRPKUUCXUVYPVAD-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.19
Rot. Bonds5

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

2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 42956033) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
PubChem CID42956033
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCC(C)c1ccccc1
InChIInChI=1S/C13H15ClN2O2S2/c1-9(11-6-4-3-5-7-11)8-15-20(17,18)12-10(2)16-13(14)19-12/h3-7,9,15H,8H2,1-2H3
InChIKeyRPKUUCXUVYPVAD-UHFFFAOYSA-N
XLogP3.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide (CID 42956033) is 2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCC(C)c1ccccc1.
What is the InChIKey of 2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is RPKUUCXUVYPVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-9(11-6-4-3-5-7-11)8-15-20(17,18)12-10(2)16-13(14)19-12/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 42956033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).