2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C14H15ClN2O3S2 — CID 44569590

IUPAC2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClN2O3S2/c1-9-8-16-13(21-9)17-12(18)14(2,3)22(19,20)11-6-4-10(15)5-7-11/h4-8H,1-3H3,(H,16,17,18)
InChIKeyGSHYOAZTBVECBL-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.30
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide

2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 44569590) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID44569590
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClN2O3S2/c1-9-8-16-13(21-9)17-12(18)14(2,3)22(19,20)11-6-4-10(15)5-7-11/h4-8H,1-3H3,(H,16,17,18)
InChIKeyGSHYOAZTBVECBL-UHFFFAOYSA-N
XLogP3.30
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 44569590) is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is GSHYOAZTBVECBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-9-8-16-13(21-9)17-12(18)14(2,3)22(19,20)11-6-4-10(15)5-7-11/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 358.87 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 44569590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).